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ANGUSTANOIC_ACID
SpectraBase Compound ID BAltG98Cjyj
InChI InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,17H,1,5-11H2,2-4H3,(H,21,22)/t17-,19-,20+/m1/s1
InChIKey WNBPGFDYVSHZNY-RLLQIKCJSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1roXorQRw8
Name (1S,4aS,10aR)-1,4a-dimethyl-7-(1-methylethenyl)-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid
Alternate Name(s) (1S,4aS,10aR)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid (1S,4aS,10aR)-7-isopropenyl-1,4a-dimethyl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylic acid
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Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,17H,1,5-11H2,2-4H3,(H,21,22)/t17-,19-,20+/m1/s1
InChIKey WNBPGFDYVSHZNY-RLLQIKCJSA-N
Molecular Weight 300.442 g/mol
SMILES OC([C@@]1([C@]2([C@@](C3=C(C=C(CC3)C(=C)C)CC2)(CCC1)C)[H])C)=O
SPLASH splash10-000i-2893000000-d0dde10b9037dce55d08
Source of Spectrum G4-61-911-1
Wiley ID 1607343