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Kaur-16-en-18-oic acid, 6-oxo-, (4.alpha.,5.alpha.)-
SpectraBase Compound ID Cq7VQ1DIOKW
InChI InChI=1S/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(21)11-20/h13,15-16H,1,4-11H2,2-3H3,(H,22,23)/t13-,15-,16-,18-,19-,20+/m1/s1
InChIKey AZLJZRRMVXQPIW-WLALFVLNSA-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 W9IaLZDVCz
Name Kaur-16-en-18-oic acid, 6-oxo-, (4.alpha.,5.alpha.)-
Alternate Name(s) Kaur-16-en-18-oic acid, 6-oxo-, (4.alpha.)- (4beta,13alpha)-6-oxokaur-16-en-18-oic acid 1H-2,10a-Ethanophenanthrene, kaur-16-en-18-oic acid deriv. ENT-6-OXO-5.beta.-KAUR-16-EN-19-OIC ACID ent-6-oxokaur-16-en-19-oic acid KAUR-16-EN-18-OIC ACID, 6-OXO-
CAS Registry Number 10391-83-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(21)11-20/h13,15-16H,1,4-11H2,2-3H3,(H,22,23)/t13-,15-,16-,18-,19-,20+/m1/s1
InChIKey AZLJZRRMVXQPIW-WLALFVLNSA-N
Molecular Weight 316.441 g/mol
SMILES OC([C@]1([C@]2([C@@]([C@@]3([C@@]4(CC2=O)CC(=C)[C@](CC3)(C4)[H])[H])(CCC1)C)[H])C)=O
SPLASH splash10-0a4i-0891000000-d5b9b89e9004e430f334
Source of Spectrum KC-1982-518-0
Wiley ID 1317071