| Properties | Image |
|---|
| MNX_ID | MNXM103472 |
 |
| reference | chebi:70302 |
| formula | C29H42O6 |
| global charge | 0 |
| mol weight | 486.649 |
| InChIKey | VQOGQXBQGQLQDY-JUVRMLKSSA-N |
| InChI | InChI=1S/C29H42O6/c1-15(17(3)26(33)34)7-8-16(2)18-9-10-19-24-20(30)13-22-27(4,12-11-23(32)29(22,6)35)25(24)21(31)14-28(18,19)5/h16-19,22-23,32,35H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18-,19+,22-,23-,27+,28-,29-/m1/s1 |
| SMILES | C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@@H](O)[C@](C)(O)[C@@H]1CC3=O)C(C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C29H42O6/c1-15(17(3)26(33)34)7-8-16(2)18-9-10-19-24-20(30)13-22-27(4,12-11-23(32)29(22,6)35)25(24)21(31)14-28(18,19)5/h16-19,22-23,32,35H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18-,19+,22-,23-,27+,28-,29-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:15]([CH2:7][CH2:8][C@@H:16]([CH3:2])[C@H:18]1[CH2:9][CH2:10][C@H:19]2[C:24]3=[C:25]([C:21](=[O:31])[CH2:14][C@:28]12[CH3:5])[C@@:27]1([CH3:4])[CH2:12][CH2:11][C@@H:23]([OH:32])[C@:29]([CH3:6])([OH:35])[C@@H:22]1[CH2:13][C:20]3=[O:30])[CH:17]([CH3:3])[C:26](=[O:33])[OH:34] |
|