| 2D Structure | |
| CID | 132944 |
| IUPAC Name | (1S,5R,6R,7S,13R)-5,13-bis(4-hydroxyphenyl)-7-[(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol |
| InChI | InChI=1S/C45H36O15/c46-21-7-1-18(2-8-21)40-30(54)15-25-26(50)16-28(52)34(42(25)57-40)37-35-29(53)17-32-36(43(35)58-41(39(37)55)19-3-9-22(47)10-4-19)38-33-27(51)13-24(49)14-31(33)59-45(60-32,44(38)56)20-5-11-23(48)12-6-20/h1-14,16-17,30,37-41,44,46-56H,15H2/t30-,37-,38-,39+,40+,41+,44?,45+/m0/s1 |
| InChI Key | PMDYNLFGCCRGRX-NSJNBNEDSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C45H36O15 |
| Molecular Weight | 816.8 |
| synonyms | ['Selligueain A', '152378-18-2', 'Epiafzelechin-(4beta-8,2beta-0-7)-epiafzelechin-(4beta-8)-afzelechin', 'DTXSID10934488', '(1S,5R,6R,7S,13R)-5,13-Bis(4-hydroxyphenyl)-7-[(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol', '(1S,5R,6R,7S,13R)-5,13-bis(4-hydroxyphenyl)-7-((2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl)-4,12,14-trioxapentacyclo(11.7.1.02,11.03,8.015,20)henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol', 'RefChem:182328', 'DTXCID501363135', '8,14-Methano-2H,14H-1-benzopyrano(7,8-d)(1,3)benzodioxocin-3,5,11,13,15-pentol, 4-(3,4-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-8-yl)-3,4-dihydro-2,8-bis(4-hydroxyphenyl)-, (2R-(2alpha,3alpha,4beta(2R*,3S*),8beta,14beta,15R*))', 'SCHEMBL23699013', 'Q3478191', '8,14-Methano-2H,14H-1-benzopyrano(7,8-d)(1,3)benzodioxocin-3,5,11,13,15-pentol, 4-(3,4-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-8-yl)-3,4-dihydro-2,8-bis(4-hydroxyphenyl)-, (2R-(2alpha,3alpha,4beta(2R*,3S*),8beta,14beta,15R*))-'] |
From Pubchem