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4a(2H)-Phenanthrenecarboxylic acid, 1,3,4,9,10,10a-hexahydro-6-methoxy-1,1-dimethyl-7-(1-methylethyl)-, methyl ester, (4aR-trans)-

View entire compound with spectra: 1 MS (GC)

4a(2H)-Phenanthrenecarboxylic acid, 1,3,4,9,10,10a-hexahydro-6-methoxy-1,1-dimethyl-7-(1-methylethyl)-, methyl ester, (4aR-trans)-
SpectraBase Compound ID HOmj0koE4t6
InChI InChI=1S/C22H32O3/c1-14(2)16-12-15-8-9-19-21(3,4)10-7-11-22(19,20(23)25-6)17(15)13-18(16)24-5/h12-14,19H,7-11H2,1-6H3
InChIKey OTVSVVDNOOVYKN-UHFFFAOYSA-N
Mol Weight 344.5 g/mol
Molecular Formula C22H32O3
Exact Mass 344.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzMY3MItQoK
Name 4a(2H)-Phenanthrenecarboxylic acid, 1,3,4,9,10,10a-hexahydro-6-methoxy-1,1-dimethyl-7-(1-methylethyl)-, methyl ester, (4aR-trans)-
CAS Registry Number 57397-34-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O3
InChI InChI=1S/C22H32O3/c1-14(2)16-12-15-8-9-19-21(3,4)10-7-11-22(19,20(23)25-6)17(15)13-18(16)24-5/h12-14,19H,7-11H2,1-6H3
InChIKey OTVSVVDNOOVYKN-UHFFFAOYSA-N
Molecular Weight 344.495 g/mol
SMILES CC(C)c1cc2CCC3C(C)(C)CCCC3(c2cc1OC)C(=O)OC
SPLASH splash10-00mo-2789000000-4d3e57feed7b72ea135e
Source of Spectrum EP-7985-0-0
Synonyms Methyl 12-methoxyabieta-8,11,13-trien-20-oate 6-Methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid methyl ester 7-isopropyl-6-methoxy-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid methyl ester Methyl 6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate Methyl 7-isopropyl-6-methoxy-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate
Wiley ID 1338237