L-oleandrosyl-oleandolide

Properties Image MNX_ID MNXM3636 reference chebi:29613 formula C27H46O10 global charge 0 mol weight 530.655 InChIKey WBLQSDZLJBWRPL-WQMXQYMNSA-N InChI InChI=1S/C27H46O10/c1-12-10-27(11-34-27)25(31)15(4)22(29)13(2)17(6)36-26(32)16(5)24(14(3)21(12)28)37-20-9-19(33-8)23(30)18(7)35-20/h12-24,28-30H,9-11H2,1-8H3/t12-,13-,14+,15+,16+,17+,18-,19-,20-,21-,22-,23-,24-,27+/m0/s1 SMILES CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O MNX internals InChI (mnx) InChI=1/C27H46O10/c1-12-10-27(11-34-27)25(31)15(4)22(29)13(2)17(6)36-26(32)16(5)24(14(3)21(12)28)37-20-9-19(33-8)23(30)18(7)35-20/h12-24,28-30H,9-11H2,1-8H3/t12-,13-,14+,15+,16+,17+,18-,19-,20-,21-,22-,23-,24-,27+/m0/s1 SMILES (mnx) [CH3:1][C@H:12]1[CH2:10][C@@:27]2([CH2:11][O:34]2)[C:25](=[O:31])[C@H:15]([CH3:4])[C@@H:22]([OH:29])[C@@H:13]([CH3:2])[C@@H:17]([CH3:6])[O:36][C:26](=[O:32])[C@H:16]([CH3:5])[C@@H:24]([O:37][C@H:20]2[CH2:9][C@H:19]([O:33][CH3:8])[C@@H:23]([OH:30])[C@H:18]([CH3:7])[O:35]2)[C@H:14]([CH3:3])[C@H:21]1[OH:28]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0