| Properties | Image |
|---|
| MNX_ID | MNXM102207 |
 |
| reference | chebi:69629 |
| formula | C30H50O2 |
| global charge | 0 |
| mol weight | 442.728 |
| InChIKey | XBRFAHRUYQHJIX-WZJQXFIWSA-N |
| InChI | InChI=1S/C30H50O2/c1-18(2)19-12-15-27(5)20(19)16-24(31)29(7)21(27)10-11-22-28(6)14-9-13-26(3,4)23(28)17-25(32)30(22,29)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23+,24+,25+,27+,28-,29+,30+/m1/s1 |
| SMILES | C=C(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5C[C@H](O)[C@@]4(C)[C@]3(C)[C@@H](O)C[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C30H50O2/c1-18(2)19-12-15-27(5)20(19)16-24(31)29(7)21(27)10-11-22-28(6)14-9-13-26(3,4)23(28)17-25(32)30(22,29)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23+,24+,25+,27+,28-,29+,30+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:18]([CH3:2])[C@H:19]1[CH2:12][CH2:15][C@@:27]2([CH3:5])[C@H:20]1[CH2:16][C@H:24]([OH:31])[C@:29]1([CH3:7])[C@@H:21]2[CH2:10][CH2:11][C@@H:22]2[C@@:28]3([CH3:6])[CH2:14][CH2:9][CH2:13][C:26]([CH3:3])([CH3:4])[C@@H:23]3[CH2:17][C@H:25]([OH:32])[C@:30]21[CH3:8] |
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