| Properties | Image |
|---|
| MNX_ID | MNXM35730 |
 |
| reference | lipidmapsM:LMST01031040 |
| formula | C31H52O |
| global charge | 0 |
| mol weight | 440.756 |
| InChIKey | ZJKCEWNYXFSSJJ-ANSWHRQLSA-N |
| InChI | InChI=1S/C31H52O/c1-8-29(5,9-2)22(4)11-10-21(3)26-14-15-27-25-13-12-23-20-24(32)16-18-30(23,6)28(25)17-19-31(26,27)7/h12,21,24-28,32H,4,8-11,13-20H2,1-3,5-7H3/t21-,24+,25+,26-,27+,28+,30+,31-/m1/s1 |
| SMILES | C=C(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)C(C)(CC)CC |
MNX internals
| InChI (mnx) | InChI=1/C31H52O/c1-8-29(5,9-2)22(4)11-10-21(3)26-14-15-27-25-13-12-23-20-24(32)16-18-30(23,6)28(25)17-19-31(26,27)7/h12,21,24-28,32H,4,8-11,13-20H2,1-3,5-7H3/t21-,24+,25+,26-,27+,28+,30+,31-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][C:29]([CH3:5])([CH2:9][CH3:2])[C:22](=[CH2:4])[CH2:11][CH2:10][C@@H:21]([CH3:3])[C@H:26]1[CH2:14][CH2:15][C@H:27]2[C@@H:25]3[CH2:13][CH:12]=[C:23]4[CH2:20][C@@H:24]([OH:32])[CH2:16][CH2:18][C@:30]4([CH3:6])[C@H:28]3[CH2:17][CH2:19][C@:31]12[CH3:7] |
|