| Properties | Image |
|---|
| MNX_ID | MNXM26398 |
 |
| reference | lipidmapsM:LMST01060007 |
| formula | C29H48O |
| global charge | 0 |
| mol weight | 412.702 |
| InChIKey | CMQUZVIEHACIBO-GELRKQERSA-N |
| InChI | InChI=1S/C29H48O/c1-17(2)18(3)23-16-24(23)19(4)25-9-10-26-22-8-7-20-15-21(30)11-13-28(20,5)27(22)12-14-29(25,26)6/h7,17-19,21-27,30H,8-16H2,1-6H3/t18-,19-,21+,22+,23-,24-,25-,26+,27+,28+,29-/m1/s1 |
| SMILES | CC(C)[C@@H](C)[C@H]1C[C@@H]1[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/C29H48O/c1-17(2)18(3)23-16-24(23)19(4)25-9-10-26-22-8-7-20-15-21(30)11-13-28(20,5)27(22)12-14-29(25,26)6/h7,17-19,21-27,30H,8-16H2,1-6H3/t18-,19-,21+,22+,23-,24-,25-,26+,27+,28+,29-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:17]([CH3:2])[C@@H:18]([CH3:3])[C@H:23]1[CH2:16][C@@H:24]1[C@@H:19]([CH3:4])[C@H:25]1[CH2:9][CH2:10][C@H:26]2[C@@H:22]3[CH2:8][CH:7]=[C:20]4[CH2:15][C@@H:21]([OH:30])[CH2:11][CH2:13][C@:28]4([CH3:5])[C@H:27]3[CH2:12][CH2:14][C@:29]12[CH3:6] |
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