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Kaur-16-en-18-oic acid, 6-hydroxy-, (4.alpha.,5.alpha.,6.beta.)-
SpectraBase Compound ID mYjzJWfiDr
InChI InChI=1S/C20H30O3/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/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13-,14-,15-,16-,18-,19-,20+/m1/s1
InChIKey BCVGMFMNITZLQO-NCLNHVEOSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEcBc2C5otb
Name Kaur-16-en-18-oic acid, 6-hydroxy-, (4.alpha.,5.alpha.,6.beta.)-
CAS Registry Number 81738-23-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/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/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13-,14-,15-,16-,18-,19-,20+/m1/s1
InChIKey BCVGMFMNITZLQO-NCLNHVEOSA-N
Molecular Weight 318.457 g/mol
SMILES OC([C@@]1(CCC[C@]2([C@]1([C@@](C[C@@]13[C@@]2(CC[C@@](C(C3)=C)(C1)[H])[H])(O)[H])[H])C)C)=O
SPLASH splash10-0btl-0492000000-ff775cfd8ee2969fc418
Source of Spectrum KC-1982-518-0
Synonyms (4beta,6beta,13alpha)-6-hydroxykaur-16-en-18-oic acid 1H-2,10a-Ethanophenanthrene, kaur-16-en-18-oic acid deriv. ent-6.beta.-hydroxykaur-16-en-19-oic acid
Wiley ID 1318787