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ANGUSTANOIC_ACID-G

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ANGUSTANOIC_ACID-G
SpectraBase Compound ID Bqmm5WM78qi
InChI InChI=1S/C19H24O3/c1-12(20)13-5-7-15-14(11-13)6-8-16-18(15,2)9-4-10-19(16,3)17(21)22/h5,7,11,16H,4,6,8-10H2,1-3H3,(H,21,22)/t16-,18-,19+/m1/s1
InChIKey VUSNLFYUMKLEAV-QRQLOZEOSA-N
Mol Weight 300.4 g/mol
Molecular Formula C19H24O3
Exact Mass 300.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86MO2lHtJSO
Name (1S,4aS,10aR)-7-acetyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Alternate Name(s) (1S,4aS,10aR)-7-ethanoyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O3
InChI InChI=1S/C19H24O3/c1-12(20)13-5-7-15-14(11-13)6-8-16-18(15,2)9-4-10-19(16,3)17(21)22/h5,7,11,16H,4,6,8-10H2,1-3H3,(H,21,22)/t16-,18-,19+/m1/s1
InChIKey VUSNLFYUMKLEAV-QRQLOZEOSA-N
Molecular Weight 300.398 g/mol
SMILES OC([C@@]1([C@]2([C@@](c3c(cc(cc3)C(=O)C)CC2)(CCC1)C)[H])C)=O
SPLASH splash10-000i-0092000000-bb7bd21c30691261172d
Source of Spectrum G4-61-911-11
Wiley ID 1607334