| Properties | Image |
|---|
| MNX_ID | MNXM103994 |
 |
| reference | chebi:69999 |
| formula | C31H50O3 |
| global charge | 0 |
| mol weight | 470.738 |
| InChIKey | DYFQGNVJYMAFHT-XPZPHRGNSA-N |
| InChI | InChI=1S/C31H50O3/c1-19(2)29(8,34)13-9-20(3)21-10-12-28(7)25-22(32)17-23-26(4,5)24(33)11-14-30(23)18-31(25,30)16-15-27(21,28)6/h20-23,25,32,34H,1,9-18H2,2-8H3/t20-,21-,22+,23+,25+,27-,28+,29?,30-,31+/m1/s1 |
| SMILES | C=C(C)C(C)(O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C31H50O3/c1-19(2)29(8,34)13-9-20(3)21-10-12-28(7)25-22(32)17-23-26(4,5)24(33)11-14-30(23)18-31(25,30)16-15-27(21,28)6/h20-23,25,32,34H,1,9-18H2,2-8H3/t20-,21-,22+,23+,25+,27-,28+,29?,30-,31+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:19]([CH3:2])[C:29]([CH3:8])([CH2:13][CH2:9][C@@H:20]([CH3:3])[C@H:21]1[CH2:10][CH2:12][C@@:28]2([CH3:7])[C@@H:25]3[C@@H:22]([OH:32])[CH2:17][C@H:23]4[C:26]([CH3:4])([CH3:5])[C:24](=[O:33])[CH2:11][CH2:14][C@@:30]45[CH2:18][C@@:31]35[CH2:16][CH2:15][C@:27]12[CH3:6])[OH:34] |
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