| Properties | Image |
|---|
| MNX_ID | MNXM1129909 |
 |
| reference | chebi:178025 |
| formula | C30H47O3 |
| global charge | -1 |
| mol weight | 455.703 |
| InChIKey | KGELVXQPIUKGCO-SPPZYOJVSA-M |
| InChI | InChI=1S/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24-25,31H,8-9,11-18H2,1-7H3,(H,32,33)/p-1/b20-10+/t19-,21-,24+,25+,28-,29-,30+/m1/s1 |
| SMILES | C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24-25,31H,8-9,11-18H2,1-7H3,(H,32,33)/b20-10+/t19-,21-,24+,25+,28-,29-,30+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:19]([CH2:9][CH2:8]/[CH:10]=[C:20](\[CH3:2])[C:26](=[O:32])[OH:33])[C@H:21]1[CH2:13][CH2:17][C@@:30]2([CH3:7])[C:23]3=[C:22]([CH2:14][CH2:18][C@:29]12[CH3:6])[C@@:28]1([CH3:5])[CH2:16][CH2:15][C@H:25]([OH:31])[C:27]([CH3:3])([CH3:4])[C@@H:24]1[CH2:12][CH2:11]3 |
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