| Properties | Image |
|---|
| MNX_ID | MNXM106620 |
 |
| reference | chebi:70529 |
| formula | C31H48O4 |
| global charge | 0 |
| mol weight | 484.721 |
| InChIKey | ZLOYHDGVJFCYJK-RLIKWOGQSA-N |
| InChI | InChI=1S/C31H48O4/c1-19(2)10-9-11-20(27(34)35-8)26-23(32)18-31(7)22-12-13-24-28(3,4)25(33)15-16-29(24,5)21(22)14-17-30(26,31)6/h10,12,20-21,23-24,26,32H,9,11,13-18H2,1-8H3/t20-,21+,23+,24+,26-,29-,30+,31-/m1/s1 |
| SMILES | COC(=O)[C@H](CCC=C(C)C)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C |
MNX internals
| InChI (mnx) | InChI=1/C31H48O4/c1-19(2)10-9-11-20(27(34)35-8)26-23(32)18-31(7)22-12-13-24-28(3,4)25(33)15-16-29(24,5)21(22)14-17-30(26,31)6/h10,12,20-21,23-24,26,32H,9,11,13-18H2,1-8H3/t20-,21+,23+,24+,26-,29-,30+,31-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:19]([CH3:2])=[CH:10][CH2:9][CH2:11][C@H:20]([C@@H:26]1[C@@H:23]([OH:32])[CH2:18][C@:31]2([CH3:7])[C:22]3=[CH:12][CH2:13][C@H:24]4[C:28]([CH3:3])([CH3:4])[C:25](=[O:33])[CH2:15][CH2:16][C@:29]4([CH3:5])[C@H:21]3[CH2:14][CH2:17][C@@:30]12[CH3:6])[C:27](=[O:34])[O:35][CH3:8] |
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