| Properties | Image |
|---|
| MNX_ID | MNXM740185 |
 |
| reference | biggM:xolest_cho |
| formula | C28H45O2* |
| global charge | 0 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 |
MNX internals
| InChI (mnx) | InChI=1/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1/i4+1 |
 |
| SMILES (mnx) | [CH3:1][CH:19]([CH3:2])[CH2:8][CH2:7][CH2:9][C@@H:20]([CH3:3])[C@H:25]1[CH2:12][CH2:13][C@H:26]2[C@@H:24]3[CH2:11][CH:10]=[C:22]4[CH2:18][C@@H:23]([O:31][C:21]([13CH3:4])=[O:30])[CH2:14][CH2:16][C@:28]4([CH3:5])[C@H:27]3[CH2:15][CH2:17][C@:29]12[CH3:6] |
|