| Properties | Image |
|---|
| MNX_ID | MNXM106031 |
 |
| reference | chebi:67478 |
| formula | C31H48O4 |
| global charge | 0 |
| mol weight | 484.721 |
| InChIKey | JDTRJLXTQXQSSV-FJWCHDPXSA-N |
| InChI | InChI=1S/C31H48O4/c1-19(2)24-18-25(32)21(4)23(30(24,7)17-15-28(34)35-9)12-11-22-20(3)10-13-26-29(5,6)27(33)14-16-31(22,26)8/h22,24-26,32H,1,3,10-18H2,2,4-9H3/t22-,24-,25+,26-,30+,31+/m0/s1 |
| SMILES | C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CCC1=C(C)[C@H](O)C[C@@H](C(=C)C)[C@]1(C)CCC(=O)OC |
MNX internals
| InChI (mnx) | InChI=1/C31H48O4/c1-19(2)24-18-25(32)21(4)23(30(24,7)17-15-28(34)35-9)12-11-22-20(3)10-13-26-29(5,6)27(33)14-16-31(22,26)8/h22,24-26,32H,1,3,10-18H2,2,4-9H3/t22-,24-,25+,26-,30+,31+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:19]([CH3:2])[C@@H:24]1[CH2:18][C@@H:25]([OH:32])[C:21]([CH3:4])=[C:23]([CH2:12][CH2:11][C@H:22]2[C:20](=[CH2:3])[CH2:10][CH2:13][C@H:26]3[C:29]([CH3:5])([CH3:6])[C:27](=[O:33])[CH2:14][CH2:16][C@:31]23[CH3:8])[C@@:30]1([CH3:7])[CH2:17][CH2:15][C:28](=[O:34])[O:35][CH3:9] |
|