| Properties | Image |
|---|
| MNX_ID | MNXM35618 |
 |
| reference | lipidmapsM:LMST03010049 |
| formula | C28H44O3 |
| global charge | 0 |
| mol weight | 428.657 |
| InChIKey | BPEQZNMKGFTMQE-AYOVJLNISA-N |
| InChI | InChI=1S/C28H44O3/c1-19-9-12-23(29)18-22(19)11-10-21-8-7-16-27(5)24(13-14-25(21)27)20(2)15-17-28(6,31)26(3,4)30/h10-11,15,17,20,23-25,29-31H,1,7-9,12-14,16,18H2,2-6H3/b17-15+,21-10+,22-11-/t20-,23+,24-,25+,27-,28+/m1/s1 |
| SMILES | C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@](C)(O)C(C)(C)O)CC[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C28H44O3/c1-19-9-12-23(29)18-22(19)11-10-21-8-7-16-27(5)24(13-14-25(21)27)20(2)15-17-28(6,31)26(3,4)30/h10-11,15,17,20,23-25,29-31H,1,7-9,12-14,16,18H2,2-6H3/b17-15+,21-10+,22-11-/t20-,23+,24-,25+,27-,28+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:19]1[CH2:9][CH2:12][C@H:23]([OH:29])[CH2:18]/[C:22]1=[CH:11]/[CH:10]=[C:21]1\[CH2:8][CH2:7][CH2:16][C@:27]2([CH3:5])[C@@H:24]([C@H:20]([CH3:2])/[CH:15]=[CH:17]/[C@@:28]([CH3:6])([C:26]([CH3:3])([CH3:4])[OH:30])[OH:31])[CH2:13][CH2:14][C@@H:25]12 |
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