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1H-2,10a-Ethanophenanthrene, kaur-16-en-18-oic acid deriv.
SpectraBase Compound ID EkUCGklWHzk
InChI InChI=1S/C20H30O3/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/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13-,14-,15-,16+,18-,19+,20-/m1/s1
InChIKey KMLXVEXJZSTMBV-OIQRHLKDSA-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 5SHFZq4Rmdd
Name 1H-2,10a-Ethanophenanthrene, kaur-16-en-18-oic acid deriv.
CAS Registry Number 21435-01-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/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/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13-,14-,15-,16+,18-,19+,20-/m1/s1
InChIKey KMLXVEXJZSTMBV-OIQRHLKDSA-N
Molecular Weight 318.457 g/mol
SMILES O[C@]1(C[C@]2([C@@](C(=O)O)(CCC[C@@]2([C@@]2([C@@]11C[C@@](CC2)(C(C1)=C)[H])[H])C)C)[H])[H]
SPLASH splash10-01b9-0049000000-fa6cfaf17955cdf573ef
Source of Spectrum F-33-2455-0
Synonyms Kaur-16-en-18-oic acid, 7-hydroxy-, (4.alpha.,7.beta.)- (-)-KAUR-16-EN-7.beta.-OL-19-OIC ACID (4alpha,7beta,13alpha)-7-hydroxykaur-16-en-18-oic acid Didymooblongin ent-7.alpha.-hydroxykaur-16-en-19-oate ent-7.alpha.-hydroxykaur-16-en-19-oic acid ent-7.beta.-hydroxy-kaur-16-en-19-oic acid ent-7.beta.-hydroxykaurenoic acid Kaur-16-en-18-oic acid, 7.beta.-hydroxy-
Wiley ID 1318766