| Properties | Image |
|---|
| MNX_ID | MNXM30672 |
 |
| reference | lipidmapsM:LMST03010033 |
| formula | C28H44O3 |
| global charge | 0 |
| mol weight | 428.657 |
| InChIKey | ZGLHBRQAEXKACO-HUMPOYGRSA-N |
| InChI | InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9-,21-11+,22-12-/t18-,19+,23+,24+,25-,26-,28+/m0/s1 |
| SMILES | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@@H](C)/C=C\[C@@H](C)C(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9-,21-11+,22-12-/t18-,19+,23+,24+,25-,26-,28+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:18](/[CH:9]=[CH:10]\[C@@H:19]([CH3:2])[C:27]([CH3:4])([CH3:5])[OH:31])[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:29])[CH2:17][C@H:26]([OH:30])[C:20]3=[CH2:3])[CH2:8][CH2:7][CH2:15][C@:28]12[CH3:6] |
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