| Properties | Image |
|---|
| MNX_ID | MNXM30108 |
 |
| reference | lipidmapsM:LMPR0106200006 |
| formula | C30H50O |
| global charge | 0 |
| mol weight | 426.729 |
| InChIKey | VDIGOFTXNYKMHY-RWLZXCKLSA-N |
| InChI | InChI=1S/C30H50O/c1-20(2)22-11-12-24-27(22,4)15-17-30(7)25-13-14-26(3)21(19-31)9-8-10-23(26)28(25,5)16-18-29(24,30)6/h19-25H,8-18H2,1-7H3/t21?,22-,23-,24-,25?,26-,27-,28+,29+,30-/m1/s1 |
| SMILES | CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3CC[C@]4(C)C(C=O)CCC[C@H]4[C@]3(C)CC[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C30H50O/c1-20(2)22-11-12-24-27(22,4)15-17-30(7)25-13-14-26(3)21(19-31)9-8-10-23(26)28(25,5)16-18-29(24,30)6/h19-25H,8-18H2,1-7H3/t21?,22-,23-,24-,25?,26-,27-,28+,29+,30-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:20]([CH3:2])[C@H:22]1[CH2:11][CH2:12][C@@H:24]2[C@:27]1([CH3:4])[CH2:15][CH2:17][C@:30]1([CH3:7])[CH:25]3[CH2:13][CH2:14][C@:26]4([CH3:3])[CH:21]([CH:19]=[O:31])[CH2:9][CH2:8][CH2:10][C@H:23]4[C@:28]3([CH3:5])[CH2:16][CH2:18][C@@:29]21[CH3:6] |
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