| Properties | Image |
|---|
| MNX_ID | MNXM1131845 |
 |
| reference | lipidmapsM:LMST01010459 |
| formula | C27H46O3 |
| global charge | 0 |
| mol weight | 418.662 |
| InChIKey | KJIGLXGIVLBXCF-KGZHIOMZSA-N |
| InChI | InChI=1S/C27H46O3/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)30-29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1 |
| SMILES | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](OO)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C27H46O3/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)30-29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:17]([CH3:2])[CH2:7][CH2:6][CH2:8][C@@H:18]([CH3:3])[C@H:21]1[CH2:9][CH2:10][C@H:22]2[C@H:25]3[C@H:23]([CH2:12][CH2:14][C@:27]12[CH3:5])[C@@:26]1([CH3:4])[CH2:13][CH2:11][C@H:20]([OH:28])[CH2:15][C:19]1=[CH:16][C@@H:24]3[O:30][OH:29] |
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