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1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-7,8-dihydroxy-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1.alpha.,4a.beta.,4b.alpha.,7.beta.,8.beta.,10a.alpha.)]-
SpectraBase Compound ID JZisZe2isjG
InChI InChI=1S/C20H32O4/c1-12(2)20(24)11-8-14-13(16(20)21)6-7-15-18(14,3)9-5-10-19(15,4)17(22)23/h6,12,14-16,21,24H,5,7-11H2,1-4H3,(H,22,23)/t14-,15+,16-,18+,19+,20+/m0/s1
InChIKey KHCINMWJGBFDRH-ICHMTLFLSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O4
Exact Mass 336.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wsUtk5lLZ6
Name 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-7,8-dihydroxy-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1.alpha.,4a.beta.,4b.alpha.,7.beta.,8.beta.,10a.alpha.)]-
CAS Registry Number 22552-62-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O4
InChI InChI=1S/C20H32O4/c1-12(2)20(24)11-8-14-13(16(20)21)6-7-15-18(14,3)9-5-10-19(15,4)17(22)23/h6,12,14-16,21,24H,5,7-11H2,1-4H3,(H,22,23)/t14-,15+,16-,18+,19+,20+/m0/s1
InChIKey KHCINMWJGBFDRH-ICHMTLFLSA-N
Molecular Weight 336.472 g/mol
SMILES OC([C@@]1(CCC[C@@]2([C@@]3(C([C@@]([C@@](CC3)(C(C)C)O)(O)[H])=CC[C@@]12[H])[H])C)C)=O
SPLASH splash10-0006-9241000000-f6bce4fc022c01bf2137
Source of Spectrum AH-116-1354-8
Synonyms Podocarp-7-en-15-oic acid, 13.beta.,14.beta.-dihydroxy-13-isopropyl- (4beta,13beta,14beta)-13,14-dihydroxyabiet-7-en-18-oic acid 4,10-Dimethyl-4-hydroxycarbonyl-14,13-dihydroxy-13-isopropyl-tricyclo[8.4.0(5,10)]tetradeca-7-ene
Wiley ID 1332558