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1H-2,10a-Ethanophenanthrene, kaur-16-en-18-oic acid deriv.
SpectraBase Compound ID 6ImRGkdb2pS
InChI InChI=1S/C20H30O4/c1-11-12-5-6-13-18(2)7-4-8-19(3,17(23)24)14(18)9-15(21)20(13,10-12)16(11)22/h12-16,21-22H,1,4-10H2,2-3H3,(H,23,24)/t12-,13+,14+,15+,16+,18+,19+,20-/m0/s1
InChIKey ORKPHXRWMNJBNO-AZCNCDIBSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BeK5eBt9irA
Name 1H-2,10a-Ethanophenanthrene, kaur-16-en-18-oic acid deriv.
CAS Registry Number 50281-29-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-11-12-5-6-13-18(2)7-4-8-19(3,17(23)24)14(18)9-15(21)20(13,10-12)16(11)22/h12-16,21-22H,1,4-10H2,2-3H3,(H,23,24)/t12-,13+,14+,15+,16+,18+,19+,20-/m0/s1
InChIKey ORKPHXRWMNJBNO-AZCNCDIBSA-N
Molecular Weight 334.456 g/mol
SMILES O[C@@]1(C[C@]2([C@@](CCC[C@@]2([C@@]2([C@]11[C@@](C([C@@](CC2)(C1)[H])=C)(O)[H])[H])C)(C(=O)O)C)[H])[H]
SPLASH splash10-0abc-4912000000-5e093fd1e675635a5757
Source of Spectrum F-33-2454-0
Synonyms Kaur-16-en-18-oic acid, 7,15-dihydroxy-, (4.alpha.,7.alpha.,15.alpha.)- (4beta,7alpha,15alpha)-7,15-dihydroxykaur-16-en-18-oic acid ent-7.beta.,15.beta.-dihydroxy-kaur-16-en-19-oic acid
Wiley ID 1331089