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(1S,4aS)-6-methoxy-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
SpectraBase Compound ID Fp43WALTV1J
InChI InChI=1S/C19H26O3/c1-12-10-13-6-7-16-18(2,14(13)11-15(12)22-4)8-5-9-19(16,3)17(20)21/h10-11,16H,5-9H2,1-4H3,(H,20,21)/t16?,18-,19+/m1/s1
InChIKey ROGLDBCGXMDQRP-VITQDTLGSA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1WLlk97U13K
Name (1S,4aS)-6-methoxy-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-12-10-13-6-7-16-18(2,14(13)11-15(12)22-4)8-5-9-19(16,3)17(20)21/h10-11,16H,5-9H2,1-4H3,(H,20,21)/t16?,18-,19+/m1/s1
InChIKey ROGLDBCGXMDQRP-VITQDTLGSA-N
Molecular Weight 302.414 g/mol
SMILES OC([C@@]1(C2[C@@](c3c(cc(c(c3)OC)C)CC2)(CCC1)C)C)=O
SPLASH splash10-0f7c-0954000000-58f149ffea7af02e5d52
Source of Spectrum X2-56-1934-19
Wiley ID 1605196