| Properties | Image |
|---|
| MNX_ID | MNXM162626 |
 |
| reference | chebi:91306 |
| formula | C27H44O3 |
| global charge | 0 |
| mol weight | 416.646 |
| InChIKey | PFGAVEWICNHWDW-OZCLJXQISA-N |
| InChI | InChI=1S/C27H44O3/c1-18(2)15-23(29)17-27(5,30)25-13-12-24-20(7-6-14-26(24,25)4)9-10-21-16-22(28)11-8-19(21)3/h9-10,18,22-25,28-30H,3,6-8,11-17H2,1-2,4-5H3/b20-9+,21-10-/t22-,23?,24-,25-,26-,27-/m0/s1 |
| SMILES | C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@@](C)(O)CC(O)CC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C27H44O3/c1-18(2)15-23(29)17-27(5,30)25-13-12-24-20(7-6-14-26(24,25)4)9-10-21-16-22(28)11-8-19(21)3/h9-10,18,22-25,28-30H,3,6-8,11-17H2,1-2,4-5H3/b20-9+,21-10-/t22-,23?,24-,25-,26-,27-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:18]([CH3:2])[CH2:15][CH:23]([CH2:17][C@@:27]([CH3:5])([C@H:25]1[CH2:13][CH2:12][C@H:24]2/[C:20](=[CH:9]/[CH:10]=[C:21]3/[CH2:16][C@@H:22]([OH:28])[CH2:11][CH2:8][C:19]3=[CH2:3])[CH2:7][CH2:6][CH2:14][C@@:26]21[CH3:4])[OH:30])[OH:29] |
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