| Properties | Image |
|---|
| MNX_ID | MNXM106232 |
 |
| reference | chebi:70624 |
| formula | C30H48O3 |
| global charge | 0 |
| mol weight | 456.711 |
| InChIKey | CMBZCUVUDFRKAG-HIHFUEEJSA-N |
| InChI | InChI=1S/C30H48O3/c1-18(2)20-11-14-30(8)23(28(20,6)13-12-24(32)33)10-9-21-26-25(19(3)4)22(31)17-27(26,5)15-16-29(21,30)7/h20-23,25-26,31H,1,3,9-17H2,2,4-8H3,(H,32,33)/t20-,21+,22-,23+,25+,26-,27-,28-,29+,30+/m0/s1 |
| SMILES | C=C(C)[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C30H48O3/c1-18(2)20-11-14-30(8)23(28(20,6)13-12-24(32)33)10-9-21-26-25(19(3)4)22(31)17-27(26,5)15-16-29(21,30)7/h20-23,25-26,31H,1,3,9-17H2,2,4-8H3,(H,32,33)/t20-,21+,22-,23+,25+,26-,27-,28-,29+,30+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:18]([CH3:2])[C@@H:20]1[CH2:11][CH2:14][C@:30]2([CH3:8])[C@H:23]([CH2:10][CH2:9][C@@H:21]3[C@H:26]4[C@H:25]([C:19](=[CH2:3])[CH3:4])[C@@H:22]([OH:31])[CH2:17][C@:27]4([CH3:5])[CH2:15][CH2:16][C@:29]32[CH3:7])[C@@:28]1([CH3:6])[CH2:13][CH2:12][C:24](=[O:32])[OH:33] |
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