| Properties | Image |
|---|
| MNX_ID | MNXM24539 |
 |
| reference | lipidmapsM:LMST01010141 |
| formula | C30H50O |
| global charge | 0 |
| mol weight | 426.729 |
| InChIKey | ZCBDFGFNCFLBOL-XSPJTHKMSA-N |
| InChI | InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h12,15,20-22,25-26,31H,9-11,13-14,16-19H2,1-8H3/t21?,22-,25?,26+,28-,29-,30+/m1/s1 |
| SMILES | CC(C)CCCC(C)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h12,15,20-22,25-26,31H,9-11,13-14,16-19H2,1-8H3/t21?,22-,25?,26+,28-,29-,30+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:20]([CH3:2])[CH2:10][CH2:9][CH2:11][CH:21]([CH3:3])[C@H:22]1[CH2:14][CH2:18][C@@:30]2([CH3:8])[C:24]3=[CH:12][CH2:13][CH:25]4[C:27]([CH3:4])([CH3:5])[C@@H:26]([OH:31])[CH2:16][CH2:17][C@:28]4([CH3:6])[C:23]3=[CH:15][CH2:19][C@:29]12[CH3:7] |
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