| Properties | Image |
|---|
| MNX_ID | MNXM101694 |
 |
| reference | chebi:69580 |
| formula | C30H48O4 |
| global charge | 0 |
| mol weight | 472.71 |
| InChIKey | HXWLKAXCQLXHML-WGOZWDAUSA-N |
| InChI | InChI=1S/C30H48O4/c1-18(2)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h19-24,31-32H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21+,22+,23-,24+,26-,27-,28+,29+,30-/m0/s1 |
| SMILES | C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C30H48O4/c1-18(2)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h19-24,31-32H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21+,22+,23-,24+,26-,27-,28+,29+,30-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:18]([CH3:2])[C@@H:19]1[CH2:9][CH2:14][C@:30]2([C:25](=[O:33])[OH:34])[CH2:16][CH2:15][C@:28]3([CH3:5])[C@H:20]([CH2:7][CH2:8][C@@H:22]4[C@@:26]5([CH3:3])[CH2:12][CH2:11][C@H:23]([OH:32])[C@@:27]([CH3:4])([CH2:17][OH:31])[C@@H:21]5[CH2:10][CH2:13][C@:29]43[CH3:6])[C@@H:24]12 |
|