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Kaur-16-en-18-oic acid, 7-oxo-, (4.alpha.)-
SpectraBase Compound ID LJZxyF1A7Nz
InChI InChI=1S/C20H28O3/c1-12-10-20-11-13(12)5-6-14(20)18(2)7-4-8-19(3,17(22)23)15(18)9-16(20)21/h13-15H,1,4-11H2,2-3H3,(H,22,23)/t13-,14-,15-,18-,19-,20-/m1/s1
InChIKey POGPCKOFXBBAHH-LPHWDNJQSA-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 B00xzlBDeId
Name Kaur-16-en-18-oic acid, 7-oxo-, (4.alpha.)-
Alternate Name(s) (4beta,13alpha)-7-oxokaur-16-en-18-oic acid 1H-2,10a-Ethanophenanthrene, kaur-16-en-18-oic acid deriv. ENT-7-OXO-KAUR-16-EN-19-OIC ACID ent-7-oxokaurenoic acid KAUR-16-EN-18-OIC ACID, 7-OXO-, (-)-
CAS Registry Number 10388-43-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-12-10-20-11-13(12)5-6-14(20)18(2)7-4-8-19(3,17(22)23)15(18)9-16(20)21/h13-15H,1,4-11H2,2-3H3,(H,22,23)/t13-,14-,15-,18-,19-,20-/m1/s1
InChIKey POGPCKOFXBBAHH-LPHWDNJQSA-N
Molecular Weight 316.441 g/mol
SMILES OC([C@]1([C@@]2(CC([C@]34[C@@]([C@]2(CCC1)C)(CC[C@](C4)(C(C3)=C)[H])[H])=O)[H])C)=O
SPLASH splash10-01ba-0769000000-bce73cbdb0cbc09b7d89
Source of Spectrum F-33-2455-0
Wiley ID 1317050