| Properties | Image |
|---|
| MNX_ID | MNXM30455 |
 |
| reference | lipidmapsM:LMST03020340 |
| formula | C28H46O3 |
| global charge | 0 |
| mol weight | 430.673 |
| InChIKey | PHNIFGLIGXOIQV-YOQPZTCMSA-N |
| InChI | InChI=1S/C28H46O3/c1-19(8-6-14-27(3,4)31)25-12-13-26-21(9-7-15-28(25,26)5)10-11-22-16-24(30)17-23(18-29)20(22)2/h10-11,19,23-26,29-31H,2,6-9,12-18H2,1,3-5H3/b21-10+,22-11-/t19-,23+,24+,25-,26+,28-/m1/s1 |
| SMILES | C=C1/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)C[C@H]1CO |
MNX internals
| InChI (mnx) | InChI=1/C28H46O3/c1-19(8-6-14-27(3,4)31)25-12-13-26-21(9-7-15-28(25,26)5)10-11-22-16-24(30)17-23(18-29)20(22)2/h10-11,19,23-26,29-31H,2,6-9,12-18H2,1,3-5H3/b21-10+,22-11-/t19-,23+,24+,25-,26+,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:19]([CH2:8][CH2:6][CH2:14][C:27]([CH3:3])([CH3:4])[OH:31])[C@H:25]1[CH2:12][CH2:13][C@H:26]2/[C:21](=[CH:10]/[CH:11]=[C:22]3/[CH2:16][C@H:24]([OH:30])[CH2:17][C@@H:23]([CH2:18][OH:29])[C:20]3=[CH2:2])[CH2:9][CH2:7][CH2:15][C@:28]12[CH3:5] |
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