| 2D Structure | |
| CID | 21636148 |
| IUPAC Name | methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-acetyloxy-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate |
| InChI | InChI=1S/C29H38O16/c1-9-11-5-14-28-8-41-29(26(39)40-4,22(28)20(24(38)44-14)42-10(2)31)23(37)18(36)21(28)27(11,3)6-12(32)19(9)45-25-17(35)16(34)15(33)13(7-30)43-25/h11,13-18,20-23,25,30,33-37H,5-8H2,1-4H3/t11-,13+,14+,15+,16-,17+,18+,20+,21+,22+,23-,25-,27-,28+,29-/m0/s1 |
| InChI Key | QVXFIBXCQCYPLP-BBIBOMAQSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C29H38O16 |
| Molecular Weight | 642.6 |
| synonyms | ['Yadanzioside I', '99132-95-3', 'methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-acetyloxy-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate', 'orb1681456', 'HY-N7532', 'MS-30928', 'CS-0132718', 'G18305'] |
From Pubchem