| Properties | Image |
|---|
| MNX_ID | MNXM33866 |
 |
| reference | lipidmapsM:LMST03010053 |
| formula | C28H44O4 |
| global charge | 0 |
| mol weight | 444.656 |
| InChIKey | UHMSHZFVGABXAS-KIAAZJKISA-N |
| InChI | InChI=1S/C28H44O4/c1-18(8-11-22(17-29)27(3,4)32)24-12-13-25-20(7-6-14-28(24,25)5)9-10-21-15-23(30)16-26(31)19(21)2/h8-11,18,22-26,29-32H,2,6-7,12-17H2,1,3-5H3/b11-8+,20-9+,21-10-/t18-,22-,23-,24-,25+,26+,28-/m1/s1 |
| SMILES | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](CO)C(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H44O4/c1-18(8-11-22(17-29)27(3,4)32)24-12-13-25-20(7-6-14-28(24,25)5)9-10-21-15-23(30)16-26(31)19(21)2/h8-11,18,22-26,29-32H,2,6-7,12-17H2,1,3-5H3/b11-8+,20-9+,21-10-/t18-,22-,23-,24-,25+,26+,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:18](/[CH:8]=[CH:11]/[C@H:22]([CH2:17][OH:29])[C:27]([CH3:3])([CH3:4])[OH:32])[C@H:24]1[CH2:12][CH2:13][C@H:25]2/[C:20](=[CH:9]/[CH:10]=[C:21]3/[CH2:15][C@@H:23]([OH:30])[CH2:16][C@H:26]([OH:31])[C:19]3=[CH2:2])[CH2:7][CH2:6][CH2:14][C@:28]12[CH3:5] |
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