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(1S,3S,4aR,4bS,8aS,10aR)-3-hydroxy-4b,8,8,10a-tetramethyl-2-methylene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1-carboxylic acid methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(1S,3S,4aR,4bS,8aS,10aR)-3-hydroxy-4b,8,8,10a-tetramethyl-2-methylene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1-carboxylic acid methyl ester
SpectraBase Compound ID HYaUf3xbjBI
InChI InChI=1S/C21H34O3/c1-13-14(22)12-16-20(4)10-7-9-19(2,3)15(20)8-11-21(16,5)17(13)18(23)24-6/h14-17,22H,1,7-12H2,2-6H3/t14-,15-,16+,17-,20-,21+/m0/s1
InChIKey RQJAKXWCURKZLQ-URFAJVILSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FgjXPeg2e4G
Name (1S,3S,4ar,4bs,8as,10Ar)-3-hydroxy-4B,8,8,10A-tetramethyl-2-methylene-1,3,4,4A,5,6,7,8A,9,10-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 334.250794952 u
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-13-14(22)12-16-20(4)10-7-9-19(2,3)15(20)8-11-21(16,5)17(13)18(23)24-6/h14-17,22H,1,7-12H2,2-6H3/t14-,15-,16+,17-,20-,21+/m0/s1
InChIKey RQJAKXWCURKZLQ-URFAJVILSA-N
Molecular Weight 334.500 g/mol
SMILES [C@]12([C@@]([C@]3(CCCC([C@@]3(CC2)[H])(C)C)C)(C[C@@](C([C@]1(C(=O)OC)[H])=C)(O)[H])[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.842403