| Properties | Image |
|---|
| MNX_ID | MNXM30675 |
 |
| reference | lipidmapsM:LMST03020151 |
| formula | C27H42O2 |
| global charge | 0 |
| mol weight | 398.631 |
| InChIKey | ZSUIJCISCOHNAH-TYPXUNACSA-N |
| InChI | InChI=1S/C27H42O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h6,9,11-12,18-19,23-26,28-29H,4,7-8,10,13-17H2,1-3,5H3/b9-6-,21-11+,22-12-/t19-,23-,24-,25+,26-,27-/m1/s1 |
| SMILES | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C\CC(C)C)CC[C@@H]23)C[C@@H](O)C[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H42O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h6,9,11-12,18-19,23-26,28-29H,4,7-8,10,13-17H2,1-3,5H3/b9-6-,21-11+,22-12-/t19-,23-,24-,25+,26-,27-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH:18]([CH3:2])[CH2:8]/[CH:6]=[CH:9]\[C@@H:19]([CH3:3])[C@H:24]1[CH2:13][CH2:14][C@H:25]2/[C:21](=[CH:11]/[CH:12]=[C:22]3/[CH2:16][C@@H:23]([OH:28])[CH2:17][C@@H:26]([OH:29])[C:20]3=[CH2:4])[CH2:10][CH2:7][CH2:15][C@:27]12[CH3:5] |
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