| Properties | Image |
|---|
| MNX_ID | MNXM30793 |
 |
| reference | lipidmapsM:LMST01040164 |
| formula | C31H52O |
| global charge | 0 |
| mol weight | 440.756 |
| InChIKey | DANGZJDIWRRJHM-IJLWCPICSA-N |
| InChI | InChI=1S/C31H52O/c1-7-22(8-2)23(9-3)11-10-21(4)27-14-15-28-26-13-12-24-20-25(32)16-18-30(24,5)29(26)17-19-31(27,28)6/h7,12,21,23,25-29,32H,8-11,13-20H2,1-6H3/b22-7-/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1 |
| SMILES | C/C=C(/CC)[C@H](CC)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C31H52O/c1-7-22(8-2)23(9-3)11-10-21(4)27-14-15-28-26-13-12-24-20-25(32)16-18-30(24,5)29(26)17-19-31(27,28)6/h7,12,21,23,25-29,32H,8-11,13-20H2,1-6H3/b22-7-/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:7]=[C:22](/[CH2:8][CH3:2])[C@H:23]([CH2:9][CH3:3])[CH2:11][CH2:10][C@@H:21]([CH3:4])[C@H:27]1[CH2:14][CH2:15][C@H:28]2[C@@H:26]3[CH2:13][CH:12]=[C:24]4[CH2:20][C@@H:25]([OH:32])[CH2:16][CH2:18][C@:30]4([CH3:5])[C@H:29]3[CH2:17][CH2:19][C@:31]12[CH3:6] |
|