| Properties | Image |
|---|
| MNX_ID | MNXM1131311 |
 |
| reference | lipidmapsM:LMPR0106140010 |
| formula | C30H46O5 |
| global charge | 0 |
| mol weight | 486.693 |
| InChIKey | QFMLBJPCQONEAF-UMQPZAPUSA-N |
| InChI | InChI=1S/C30H46O5/c1-18(16-31)19-8-13-30(25(34)35)15-14-28(4)20(24(19)30)6-7-22-26(2)11-10-23(33)27(3,17-32)21(26)9-12-29(22,28)5/h16,19-24,32-33H,1,6-15,17H2,2-5H3,(H,34,35)/t19-,20+,21+,22+,23+,24+,26-,27-,28+,29+,30-/m0/s1 |
| SMILES | C=C(C=O)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C30H46O5/c1-18(16-31)19-8-13-30(25(34)35)15-14-28(4)20(24(19)30)6-7-22-26(2)11-10-23(33)27(3,17-32)21(26)9-12-29(22,28)5/h16,19-24,32-33H,1,6-15,17H2,2-5H3,(H,34,35)/t19-,20+,21+,22+,23+,24+,26-,27-,28+,29+,30-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:18]([CH:16]=[O:31])[C@@H:19]1[CH2:8][CH2:13][C@:30]2([C:25](=[O:34])[OH:35])[CH2:15][CH2:14][C@:28]3([CH3:4])[C@H:20]([CH2:6][CH2:7][C@@H:22]4[C@@:26]5([CH3:2])[CH2:11][CH2:10][C@@H:23]([OH:33])[C@@:27]([CH3:3])([CH2:17][OH:32])[C@@H:21]5[CH2:9][CH2:12][C@:29]43[CH3:5])[C@@H:24]12 |
|