| SpectraBase Spectrum ID |
C5OC0WcucxX |
| Name |
Methyl trans-4A,cis-4B,trans-8A,cis-10A-perhydro-trans-2,4A,8A-trimethyl-8-oxophenanthrene-2-carboxylate, [2S-(2.alpha., 4A.alpha., 4B.beta., 8A.alpha.,10A.beta.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.219494823 u |
| Formula |
C19H30O3 |
| InChI |
InChI=1S/C19H30O3/c1-17(16(21)22-4)10-11-18(2)13(12-17)8-9-19(3)14(18)6-5-7-15(19)20/h13-14H,5-12H2,1-4H3 |
| InChIKey |
ZKXRJQUBJHDTTP-UHFFFAOYSA-N |
| SMILES |
C1CCC2C(C1=O)(CCC1C2(CCC(C1)(C(OC)=O)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943413 |
![Methyl trans-4A,cis-4B,trans-8A,cis-10A-perhydro-trans-2,4A,8A-trimethyl-8-oxophenanthrene-2-carboxylate, [2S-(2.alpha., 4A.alpha., 4B.beta., 8A.alpha.,10A.beta.)]-](/api/spectrum/C5OC0WcucxX/structure.png?h=300&w=458 "Methyl trans-4A,cis-4B,trans-8A,cis-10A-perhydro-trans-2,4A,8A-trimethyl-8-oxophenanthrene-2-carboxylate, [2S-(2.alpha., 4A.alpha., 4B.beta., 8A.alpha.,10A.beta.)]-")
