| 2D Structure | |
| CID | 30231 |
| IUPAC Name | 1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one |
| InChI | InChI=1S/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1 |
| InChI Key | ITVGXXMINPYUHD-CUVHLRMHSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C28H36O15 |
| Molecular Weight | 612.6 |
| synonyms | ['neohesperidin dihydrochalcone', '20702-77-6', 'Nhdc', 'Neohesperidin dc', 'Neohesperidin dhc', 'Citrosa', 'Neohesperidine dihydrochalcone', 'neohesperidine DC', 'DTXSID3025706', 'NCI-C60764', 'neohesperidin dihydrochalone', '1-Propanone, 1-[4-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-', 'CHEBI:83535', '3X476D83QV', '1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one', 'DTXCID305706', 'FEMA NO. 3811', 'Glucopyranoside, 3,5-dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-', '1-Propanone, 1-(4-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-', '1-(4-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one', 'RefChem:832306', '1-(4-((2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one', '243-978-6', 'GLUCOPYRANOSIDE, 3,5-DIHYDROXY-4-(3-HYDROXY-4-METHOXYHYDROCINNAMOYL)PHENYL 2-O-ALPHA-L-RHAMNOPYRANOSYL-', 'Neosperidin dihydrochalcone', 'Neohesperidin-dihydrochalcone', 'MFCD00017711', '1-(4-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one', '1-(4-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one', 'C28H36O15', '1-(4-((2-O-[6-Deoxy-alpha-L-mannopyranosyl]-beta-D-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-[3-hydroxy-4-methoxyphenyl]-1-propanone', '1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2,6-dihydroxy-phenyl]-3-(3-hydroxy-4-methoxy-phenyl)propan-1-one', 'CCRIS 4848', 'EINECS 243-978-6', 'UNII-3X476D83QV', 'Neohesperidin Dihydrochalcone (Nhdc)', 'Neosperidin-dihydrochalcone', 'NeohesperidinDihydrochalcone', '1-(4-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-', '1-Propanone, 1-(4-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-me', '3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl) 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside', 'SCHEMBL909958', 'orb1305047', 'CHEMBL1159645', 'SCHEMBL29352176', 'HY-N0154R', 'ITVGXXMINPYUHD-CUVHLRMHSA-', 'HMS3884H13', 'HMS6019G04', 'HY-N0154', 'MSK40285', 'Tox21_200303', 's2331', 'AKOS015895239', 'CCG-270237', 'CS-6419', 'ON07510', 'Neohesperidin dihydrochalcone (Standard)', 'NCGC00091109-01', 'NCGC00091109-02', 'NCGC00091109-04', 'NCGC00257857-01', 'AC-34860', 'AS-15190', 'Glucopyranoside, 3,5-dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl 2-O-(6-deoxy-.alpha.-L-mannopyranosyl)-, .beta.-D-', 'Glucopyranoside, 3,5-dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-', 'NEOHESPERIDIN DIHYDROCHALCONE [MI]', 'SY074064', 'Neohesperidin dihydrochalcone, >=96%, FG', 'NEOHESPERIDIN DIHYDROCHALONE [FHFI]', 'CAS-20702-77-6', 'NEOHESPERIDINE DIHYDROCHALCONE [FCC]', 'N0675', 'NS00000402', 'NEOHESPERIDIN DIHYDROCHALCONE [USP-RS]', 'Neohesperidin dihydrochalcone, >=95% (HPLC)', 'NEOHESPERIDINE DIHYDROCHALCONE [USP-RS]', 'Neohesperidin dihydrochalcone, analytical standard', '702N776', 'Q424595', 'SR-01000883756', 'NEOHESPERIDIN-DIHYDROCHALCONE [EP MONOGRAPH]', 'SR-01000883756-1', 'BRD-K61032563-001-02-9', "HESPERETIN DIHYDROCHALCONE-4'-.BETA.-NEOHESPERIDOSIDE", 'Neohesperidin dihydrochalcone, European Pharmacopoeia (EP) Reference Standard', '1-(4-((2-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-DIHYDROCHALCONE GLUCOPYRANOSYL)OXY)-2,6-DIHYDROXYPHENYL)-3-(3-HYDROXY-4-METHOXYPHENYL)PROPAN-1-ONE', '1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5', '1-[4-[[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy]tetrahydro-2H-pyran-2-yl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-1-propanone', '1-[4-[[2-O-(6-Deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-1-propanone', '1-PROPANONE, 1-(4-((2-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2,6-DIHYDROXYPHENYL)-3-(3-HYDROXY-4-METHOXYPHENYL)-', '1-Propanone, 1-[4-[[2-O-(6-deoxy-|A-L-mannopyranosyl)-|A-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-', '3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside', 'GLUCOPYRANOSIDE, 3,5-DIHYDROXY-4-(3-HYDROXY-4-METHOXYHYDROCINNAMOYL)PHENYL 2-O-.ALPHA.-L-RHAMNOPYRANOSYL-', 'InChI=1/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1'] |
From Pubchem