| Properties | Image |
|---|
| MNX_ID | MNXM104050 |
 |
| reference | chebi:70118 |
| formula | C31H52O2 |
| global charge | 0 |
| mol weight | 456.755 |
| InChIKey | CMYFKSGATOJENB-OKYHLYSZSA-N |
| InChI | InChI=1S/C31H52O2/c1-20(2)18-22(33-9)19-21(3)23-12-16-31(8)25-10-11-26-28(4,5)27(32)14-15-29(26,6)24(25)13-17-30(23,31)7/h10,18,21-24,26-27,32H,11-17,19H2,1-9H3/t21-,22-,23-,24-,26-,27-,29+,30-,31+/m0/s1 |
| SMILES | CO[C@@H](C=C(C)C)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C |
MNX internals
| InChI (mnx) | InChI=1/C31H52O2/c1-20(2)18-22(33-9)19-21(3)23-12-16-31(8)25-10-11-26-28(4,5)27(32)14-15-29(26,6)24(25)13-17-30(23,31)7/h10,18,21-24,26-27,32H,11-17,19H2,1-9H3/t21-,22-,23-,24-,26-,27-,29+,30-,31+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:20]([CH3:2])=[CH:18][C@@H:22]([CH2:19][C@H:21]([CH3:3])[C@@H:23]1[CH2:12][CH2:16][C@:31]2([CH3:8])[C:25]3=[CH:10][CH2:11][C@H:26]4[C:28]([CH3:4])([CH3:5])[C@@H:27]([OH:32])[CH2:14][CH2:15][C@:29]4([CH3:6])[C@H:24]3[CH2:13][CH2:17][C@@:30]12[CH3:7])[O:33][CH3:9] |
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