SpectraBase Spectrum ID |
KPovVeUbyo6 |
Name |
(1R,4ar,4bs,10Ar)-1,4A-dimethyl-2,3,4,4B,5,6,7,9,10,10A-decahydrophenanthrene-1-carboxylic acid methyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
276.208930140 u |
Formula |
C18H28O2 |
InChI |
InChI=1S/C18H28O2/c1-17-11-6-12-18(2,16(19)20-3)15(17)10-9-13-7-4-5-8-14(13)17/h7,14-15H,4-6,8-12H2,1-3H3/t14-,15+,17+,18+/m0/s1 |
InChIKey |
UIWLKQFSLNCJGB-BURFUSLBSA-N |
Molecular Weight |
276.420 g/mol |
SMILES |
[C@@]12([C@]([C@@](C(=O)OC)(C)CCC2)(CCC=2[C@@]1(CCCC2)[H])[H])C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982738 |