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ANGUSTANOIC_ACID-E

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

ANGUSTANOIC_ACID-E
SpectraBase Compound ID JWprBewLKZZ
InChI InChI=1S/C20H26O2/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/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20+/m1/s1
InChIKey NGBRPGLXCQJIPU-RLLQIKCJSA-N
Mol Weight 298.43 g/mol
Molecular Formula C20H26O2
Exact Mass 298.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Rn3hlpQDw
Name (1S,4aS,10aR)-1,4a-dimethyl-7-(1-methylethenyl)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O2
InChI InChI=1S/C20H26O2/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/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20+/m1/s1
InChIKey NGBRPGLXCQJIPU-RLLQIKCJSA-N
Molecular Weight 298.426 g/mol
SMILES OC([C@@]1([C@]2([C@@](c3c(cc(cc3)C(=C)C)CC2)(CCC1)C)[H])C)=O
SPLASH splash10-001s-0090000000-2f0f1f78dc7f14a0684c
Source of Spectrum G4-61-911-8
Synonyms (1S,4aS,10aR)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid (1S,4aS,10aR)-7-isopropenyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Wiley ID 1607337