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1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-6,7-dihydroxy-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,6.alpha.,7.alpha.,10a.alpha.)]-

View entire compound with spectra: 1 MS (GC)

1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-6,7-dihydroxy-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,6.alpha.,7.alpha.,10a.alpha.)]-
SpectraBase Compound ID JQeSwwP1Rgd
InChI InChI=1S/C21H34O4/c1-13(2)21(24)12-14-7-8-16-19(3,15(14)11-17(21)22)9-6-10-20(16,4)18(23)25-5/h12-13,15-17,22,24H,6-11H2,1-5H3/t15-,16+,17-,19+,20+,21+/m0/s1
InChIKey BMRGJJWPGWJDOB-MKIZIQLTSA-N
Mol Weight 350.5 g/mol
Molecular Formula C21H34O4
Exact Mass 350.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8y7q6vckB6E
Name 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-6,7-dihydroxy-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,6.alpha.,7.alpha.,10a.alpha.)]-
CAS Registry Number 34217-11-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O4
InChI InChI=1S/C21H34O4/c1-13(2)21(24)12-14-7-8-16-19(3,15(14)11-17(21)22)9-6-10-20(16,4)18(23)25-5/h12-13,15-17,22,24H,6-11H2,1-5H3/t15-,16+,17-,19+,20+,21+/m0/s1
InChIKey BMRGJJWPGWJDOB-MKIZIQLTSA-N
Molecular Weight 350.499 g/mol
SMILES O[C@@]1([C@@](C=C2CC[C@@]3([C@@]([C@]2(C1)[H])(CCC[C@]3(C(=O)OC)C)C)[H])(C(C)C)O)[H]
SPLASH splash10-0ab9-2942000000-f64ab29ab7ced6129626
Source of Spectrum W5-30909-0-0
Synonyms Methyl 12,13-dihydroxyabiet-8(14)-en-18-oate 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-6,7-dihydroxy-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, @1R-(1.alp 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-6,7-dihydroxy-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alp 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-6,7-dihydroxy-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1alpha,4abeta,4balpha,6alpha,7alpha,10aalpha)]- Methyl (4beta,12alpha)-12,13-dihydroxyabiet-8(14)-en-18-oate
Wiley ID 1342133