| Properties | Image |
|---|
| MNX_ID | MNXM102395 |
 |
| reference | chebi:70266 |
| formula | C30H48O2 |
| global charge | 0 |
| mol weight | 440.712 |
| InChIKey | UEMOSIMEJKJGBC-MBMJWOSHSA-N |
| InChI | InChI=1S/C30H48O2/c1-20(10-9-16-26(2,3)32)21-13-18-29(7)22(21)11-12-24-28(6)17-15-25(31)27(4,5)23(28)14-19-30(24,29)8/h9,16,21-24,32H,1,10-15,17-19H2,2-8H3/b16-9+/t21-,22-,23+,24-,28+,29-,30-/m1/s1 |
| SMILES | C=C(C/C=C/C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C30H48O2/c1-20(10-9-16-26(2,3)32)21-13-18-29(7)22(21)11-12-24-28(6)17-15-25(31)27(4,5)23(28)14-19-30(24,29)8/h9,16,21-24,32H,1,10-15,17-19H2,2-8H3/b16-9+/t21-,22-,23+,24-,28+,29-,30-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:20]([CH2:10]/[CH:9]=[CH:16]/[C:26]([CH3:2])([CH3:3])[OH:32])[C@H:21]1[CH2:13][CH2:18][C@:29]2([CH3:7])[C@@H:22]1[CH2:11][CH2:12][C@@H:24]1[C@@:28]3([CH3:6])[CH2:17][CH2:15][C:25](=[O:31])[C:27]([CH3:4])([CH3:5])[C@@H:23]3[CH2:14][CH2:19][C@:30]12[CH3:8] |
|