| 2D Structure | |
| CID | 119245 |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| InChI | InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1 |
| InChI Key | VNONINPVFQTJOC-ZGXDEBHDSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C45H72O16 |
| Molecular Weight | 869.0 |
| synonyms | ['Dioscin', '19057-60-4', '(+)-DIOSCIN', '3B95U4OLWV', 'CHEBI:74023', "(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol", 'DTXSID50903916', '3-O-[alpha-L-Rha-(1->4)-[alpha-L-Rha-(1->2)]-beta-D-Glc]-diosgenin', '(25R)-spirost-5-en-3beta-yl alpha-L-rhamnopyranosyl-(1->2)-[alpha-L-mannopyranosyl-(1->4)]-beta-D-glucopyranoside', '3-O-(alpha-L-Rha-(1->4)-(alpha-L-Rha-(1->2))-beta-D-Glc)-diosgenin', '(25R)-spirost-5-en-3beta-yl alpha-L-rhamnopyranosyl-(1->2)-(alpha-L-mannopyranosyl-(1->4))-beta-D-glucopyranoside', "(2S,3R,4R,5R,6S)-2-((2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-((1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icos-18-ene-6,2'-oxane)-16-yl)oxy-5-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl)oxy-6-methyloxane-3,4,5-triol", 'RefChem:34969', 'DTXCID101331877', 'Collettiside III', 'CCRIS 4123', 'PARIS III', 'C45H72O16', 'MFCD02094174', '3-O-(Rhaalpha1-4(Rhaalpha1-2)Glcbeta)-(25R)-spirost-5-en-3beta-ol', '3-O-[alpha-L-Rhap-(1->4)-[alpha-L-Rhap-(1->2)]-beta-D-Glcp]-diosgenin', 'Collettinside III', 'UNII-3B95U4OLWV', 'Collettiside III;CCRIS 4123', 'Dioscin?', 'Polyphyllin?Iii?', 'DIOSCIN [MI]', 'DIOSCIN [WHO-DD]', 'Dioscin (Collettiside III)', 'GTPL840', 'SCHEMBL526528', 'CHEMBL507001', 'Dioscin, >=95% (HPLC)', 'VNONINPVFQTJOC-ZGXDEBHDSA-N', 'GLXC-13125', 'HY-N0124', 'BDBM50088500', 'MSK158475', 's2379', 'AKOS022168201', 'Diosgenin bis-alpha-L-rhamnopyranosyl)-(1-2 and 1-4)-beta-D-glucopyranoside', 'CCG-270544', 'EBC-469065', 'OD11563', '(25r)-3beta-[2-O,4-O-bis(alpha-l-rhamnopyranosyl)-beta-d-glucopyranosyloxy]spirosta-5-ene', 'NS00093686', 'C08897', 'Q-100228', 'Q63395447', '3-O-[alpha-L-Rha-(1->4)-[alpha-L-Rha-(1->2)]-beta-D-Glc]diosgenin', '(25R)-diosgenin-3-O-alpha-L-rha-(1->4)-[alpha-L-rha-(1->2)]-beta-D-glc', '3-O-a-L-Rhamnopyranosyl(1?4)-[a-L-rhamnopyranosyl(1?2)]-b-D-glucopyranoside-diosgenin', "(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-tetrahydropyran]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol", "(2S,3R,4R,5R,6S)-2-{[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-eneoxy]-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol", '(3.BETA.,25R)-SPIROST-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4))-.BETA.-D-GLUCOPYRANOSIDE', '(3?,25R)-Spirost-5-en-3-yl 6-deoxy-?-L-mannopyranosyl-(1->2)-[6-deoxy-?-L-mannopyranosyl-(1->4)]-?-D-glucopyranoside', '(3b,25R)-Spir ost-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1-2)-O[6-deoxy-a-L-mannopyranosyl-(1-4)-b-D-glucopyranoside', '.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,25R)-SPIROST-5-EN-3-YL O-6- DEOXY-ALPHA-L-MANNOPYRANOSYL-(1->2)-O-(6-DEOXY-.ALPHA.-L- MANNOPYRANOSYL-(1->4))-', '3-O-beta-D-alpha-L-Rhamnopyranosyl(1->4)-[alpha-L-rhamnopyranosyl(1->2)]-beta-D-glucopyranoside-diosgenin', 'beta-D-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-4))-', 'DIOSGENIN 3-O-.ALPHA.-L-RHAMNOPYRANOSYL-(1->2)-(.ALPHA.-L-RHAMNOPYRANOSYL-(1->4))-.BETA.-D-GLUCOPYRANOSIDE', 'diosgenin-3-O-alpha-L-rhamnopyranosyl(1->4) [alpha-L-rhamnopyranosyl(1->2)]-beta-D-glucopyranoside'] |
From Pubchem