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1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-6-methoxy-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,6.beta.,10a.alpha.)]-
SpectraBase Compound ID 56EroLrV2ki
InChI InChI=1S/C22H34O3/c1-14(2)16-12-15-8-9-19-21(3,17(15)13-18(16)24-5)10-7-11-22(19,4)20(23)25-6/h8,12,14,17-19H,7,9-11,13H2,1-6H3/t17-,18+,19+,21+,22+/m0/s1
InChIKey LISNSRNVVSLCBB-LDNJSWSKSA-N
Mol Weight 346.5 g/mol
Molecular Formula C22H34O3
Exact Mass 346.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9AcyrHmxwzT
Name 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-6-methoxy-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1.alpha.,4a.beta.,4b.alpha.,6.beta.,10a.alpha.)]-
CAS Registry Number 121944-07-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O3
InChI InChI=1S/C22H34O3/c1-14(2)16-12-15-8-9-19-21(3,17(15)13-18(16)24-5)10-7-11-22(19,4)20(23)25-6/h8,12,14,17-19H,7,9-11,13H2,1-6H3/t17-,18+,19+,21+,22+/m0/s1
InChIKey LISNSRNVVSLCBB-LDNJSWSKSA-N
Molecular Weight 346.511 g/mol
SMILES [C@]12([C@@]3(C(C=C([C@@](C3)(OC)[H])C(C)C)=CC[C@]1([C@@](C(=O)OC)(C)CCC2)[H])[H])C
SPLASH splash10-0uk9-1907000000-87e1005580d4c9f60dec
Source of Spectrum AH-119-837-5
Synonyms Methyl (4beta,12beta)-12-methoxyabieta-7,13-dien-18-oate [1R-(1.alpha.,4a.beta.,4b.alpha.,6.beta.,10a.alpha.)]-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-6-methoxy-6-(1-methylethyl)-phenanthrenecarboxylic acid methylester [1R-(1.alpha.,4a.beta.,4b.alpha.,6.beta.,10a.alpha.)]-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-6-methoxy-7-(1-methylethyl)-phenanthrenecarboxylic acid methylester
Wiley ID 1339643