| Properties | Image |
|---|
| MNX_ID | MNXM1129366 |
 |
| reference | chebi:173226 |
| formula | C27H44O2 |
| global charge | 0 |
| mol weight | 400.647 |
| InChIKey | UVVWRMXOHIVZBN-RPAZCORHSA-N |
| InChI | InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h9,11-12,20,23-25,28-29H,6-8,10,13-18H2,1-5H3/b12-11+/t20-,23+,24-,25+,27-/m1/s1 |
| SMILES | CC1=C(/C=C/C2=CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h9,11-12,20,23-25,28-29H,6-8,10,13-18H2,1-5H3/b12-11+/t20-,23+,24-,25+,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:19]1=[C:22](/[CH:12]=[CH:11]/[C:21]2=[CH:9][CH2:7][CH2:17][C@:27]3([CH3:5])[C@@H:24]([C@H:20]([CH3:2])[CH2:8][CH2:6][CH2:16][C:26]([CH3:3])([CH3:4])[OH:29])[CH2:14][CH2:15][C@@H:25]23)[CH2:18][C@@H:23]([OH:28])[CH2:13][CH2:10]1 |
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