| Properties | Image |
|---|
| MNX_ID | MNXM104164 |
 |
| reference | chebi:70625 |
| formula | C30H50O2 |
| global charge | 0 |
| mol weight | 442.728 |
| InChIKey | JSPGKOBNHWTKNT-CPGXJQKCSA-N |
| InChI | InChI=1S/C30H50O2/c1-20(9-8-14-25(2,3)32)21-12-15-28(7)23-11-10-22-26(4,5)24(31)13-16-29(22)19-30(23,29)18-17-27(21,28)6/h8,14,20-24,31-32H,9-13,15-19H2,1-7H3/b14-8+/t20-,21-,22+,23+,24+,27-,28+,29-,30+/m1/s1 |
| SMILES | C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C30H50O2/c1-20(9-8-14-25(2,3)32)21-12-15-28(7)23-11-10-22-26(4,5)24(31)13-16-29(22)19-30(23,29)18-17-27(21,28)6/h8,14,20-24,31-32H,9-13,15-19H2,1-7H3/b14-8+/t20-,21-,22+,23+,24+,27-,28+,29-,30+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:20]([CH2:9]/[CH:8]=[CH:14]/[C:25]([CH3:2])([CH3:3])[OH:32])[C@H:21]1[CH2:12][CH2:15][C@@:28]2([CH3:7])[C@@H:23]3[CH2:11][CH2:10][C@H:22]4[C:26]([CH3:4])([CH3:5])[C@@H:24]([OH:31])[CH2:13][CH2:16][C@@:29]45[CH2:19][C@@:30]35[CH2:18][CH2:17][C@:27]12[CH3:6] |
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