| Properties | Image |
|---|
| MNX_ID | MNXM101901 |
 |
| reference | chebi:69577 |
| formula | C29H44O4 |
| global charge | 0 |
| mol weight | 456.667 |
| InChIKey | PJWNQESEBNSLIQ-VZBPFLCRSA-N |
| InChI | InChI=1S/C29H44O4/c1-18-8-13-29(24(32)33)15-14-27(4)19(20(29)16-18)6-7-22-25(2)11-10-23(31)26(3,17-30)21(25)9-12-28(22,27)5/h6,8,20-23,30-31H,7,9-17H2,1-5H3,(H,32,33)/t20-,21+,22+,23-,25-,26-,27+,28+,29-/m0/s1 |
| SMILES | CC1=CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C29H44O4/c1-18-8-13-29(24(32)33)15-14-27(4)19(20(29)16-18)6-7-22-25(2)11-10-23(31)26(3,17-30)21(25)9-12-28(22,27)5/h6,8,20-23,30-31H,7,9-17H2,1-5H3,(H,32,33)/t20-,21+,22+,23-,25-,26-,27+,28+,29-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:18]1=[CH:8][CH2:13][C@:29]2([C:24](=[O:32])[OH:33])[CH2:15][CH2:14][C@:27]3([CH3:4])[C:19](=[CH:6][CH2:7][C@@H:22]4[C@@:25]5([CH3:2])[CH2:11][CH2:10][C@H:23]([OH:31])[C@@:26]([CH3:3])([CH2:17][OH:30])[C@@H:21]5[CH2:9][CH2:12][C@:28]43[CH3:5])[C@@H:20]2[CH2:16]1 |
|