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ANGUSTANOIC_ACID-F
SpectraBase Compound ID CEdfuFpZybq
InChI InChI=1S/C20H28O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h7-8,12,16,23H,5-6,9-11H2,1-4H3,(H,21,22)/t16-,19-,20+/m1/s1
InChIKey ILQLITDRYFHAGM-AHRSYUTCSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5yNOiJRZx6K
Name Angustanoic acid F
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-18(2,23)14-7-8-15-13(12-14)6-9-16-19(15,3)10-5-11-20(16,4)17(21)22/h7-8,12,16,23H,5-6,9-11H2,1-4H3,(H,21,22)/t16-,19-,20+/m1/s1
InChIKey ILQLITDRYFHAGM-AHRSYUTCSA-N
Molecular Weight 316.441 g/mol
SMILES OC([C@@]1([C@]2([C@@](c3ccc(C(O)(C)C)cc3CC2)(CCC1)C)[H])C)=O
SPLASH splash10-0f8j-1293000000-155cf12e8da1783a02eb
Source of Spectrum G4-61-911-9
Synonyms (4alpha)-15-hydroxyabieta-9(11),8(14),12-trien-18-oic acid (1S,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid (1S,4aS,10aR)-1,4a-dimethyl-7-(2-oxidanylpropan-2-yl)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Wiley ID 1607336