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1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,10a-hexahydro-6-methoxy-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1S-(1.alpha.,4a.alpha.,10a.beta.)]-
SpectraBase Compound ID KUUTNK7wSlX
InChI InChI=1S/C22H30O3/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/h8-9,12-14,19H,7,10-11H2,1-6H3/t19-,21-,22+/m1/s1
InChIKey CHQXKBLZHDATTR-FCEUIQTBSA-N
Mol Weight 342.48 g/mol
Molecular Formula C22H30O3
Exact Mass 342.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LLxFa2X7732
Name 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,10a-hexahydro-6-methoxy-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1S-(1.alpha.,4a.alpha.,10a.beta.)]-
CAS Registry Number 129520-16-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O3
InChI InChI=1S/C22H30O3/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/h8-9,12-14,19H,7,10-11H2,1-6H3/t19-,21-,22+/m1/s1
InChIKey CHQXKBLZHDATTR-FCEUIQTBSA-N
Molecular Weight 342.479 g/mol
SMILES [C@@]12([C@]([C@](C(=O)OC)(C)CCC2)(C=Cc2c1cc(c(C(C)C)c2)OC)[H])C
SPLASH splash10-00mo-0295000000-0543b029276ecab1e498
Source of Spectrum B-43-889-22
Synonyms Methyl (4alpha)-12-methoxyabieta-6,8,11,13-tetraen-18-oate Methyl 13-isopropyl-12-methoxypodocarpa-6,8,11,13-tetraen-19-oate Methyl 2-methoxy-3-isopropyl-5,11a-dimethyl-6,7,8,13-tetrahydrophenanthrene-5-carboxylate
Wiley ID 1336932