| Properties | Image |
|---|
| MNX_ID | MNXM35667 |
 |
| reference | lipidmapsM:LMST01050021 |
| formula | C30H50O |
| global charge | 0 |
| mol weight | 426.729 |
| InChIKey | LVMOSMRIAUDGQC-FTKWHHHFSA-N |
| InChI | InChI=1S/C30H50O/c1-7-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h8,11,20-21,24-28,31H,7,9-10,12-19H2,1-6H3/b22-8+/t21-,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| SMILES | CC/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)C |
MNX internals
| InChI (mnx) | InChI=1/C30H50O/c1-7-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31)15-17-29(23,5)28(25)16-18-30(26,27)6/h8,11,20-21,24-28,31H,7,9-10,12-19H2,1-6H3/b22-8+/t21-,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7]/[CH:8]=[C:22](\[CH2:10][CH2:9][C@@H:21]([CH3:4])[C@H:26]1[CH2:13][CH2:14][C@H:27]2[C@@H:25]3[CH2:12][CH:11]=[C:23]4[CH2:19][C@@H:24]([OH:31])[CH2:15][CH2:17][C@:29]4([CH3:5])[C@H:28]3[CH2:16][CH2:18][C@:30]12[CH3:6])[CH:20]([CH3:2])[CH3:3] |
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