| Properties | Image |
|---|
| MNX_ID | MNXM100907 |
 |
| reference | chebi:70122 |
| formula | C31H50O2 |
| global charge | 0 |
| mol weight | 454.739 |
| InChIKey | VUTMJNYAUWPTQA-ADMPYRPZSA-N |
| InChI | InChI=1S/C31H50O2/c1-21(11-10-17-27(2,3)33-9)22-14-19-31(8)24-12-13-25-28(4,5)26(32)16-18-29(25,6)23(24)15-20-30(22,31)7/h10,12,17,21-23,25H,11,13-16,18-20H2,1-9H3/b17-10+/t21-,22-,23-,25-,29+,30-,31+/m0/s1 |
| SMILES | COC(C)(C)/C=C/C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C |
MNX internals
| InChI (mnx) | InChI=1/C31H50O2/c1-21(11-10-17-27(2,3)33-9)22-14-19-31(8)24-12-13-25-28(4,5)26(32)16-18-29(25,6)23(24)15-20-30(22,31)7/h10,12,17,21-23,25H,11,13-16,18-20H2,1-9H3/b17-10+/t21-,22-,23-,25-,29+,30-,31+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:21]([CH2:11]/[CH:10]=[CH:17]/[C:27]([CH3:2])([CH3:3])[O:33][CH3:9])[C@@H:22]1[CH2:14][CH2:19][C@:31]2([CH3:8])[C:24]3=[CH:12][CH2:13][C@H:25]4[C:28]([CH3:4])([CH3:5])[C:26](=[O:32])[CH2:16][CH2:18][C@:29]4([CH3:6])[C@H:23]3[CH2:15][CH2:20][C@@:30]12[CH3:7] |
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