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8a(4bH)-Phenanthrenecarboxylic acid, 5,6,7,8,9,10-hexahydro-2-methoxy-6,6-dimethyl-, methyl ester, trans-(.+-.)-
SpectraBase Compound ID Ejyr4wb3Tz5
InChI InChI=1S/C19H26O3/c1-18(2)9-10-19(17(20)22-4)8-7-13-11-14(21-3)5-6-15(13)16(19)12-18/h5-6,11,16H,7-10,12H2,1-4H3/t16-,19-/m1/s1
InChIKey MDHGNYCLSSDOCD-VQIMIIECSA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3y9WsJqW4u
Name 8a(4bH)-Phenanthrenecarboxylic acid, 5,6,7,8,9,10-hexahydro-2-methoxy-6,6-dimethyl-, methyl ester, trans-(.+-.)-
CAS Registry Number 78661-20-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-18(2)9-10-19(17(20)22-4)8-7-13-11-14(21-3)5-6-15(13)16(19)12-18/h5-6,11,16H,7-10,12H2,1-4H3/t16-,19-/m1/s1
InChIKey MDHGNYCLSSDOCD-VQIMIIECSA-N
Molecular Weight 302.414 g/mol
SMILES [C@]12([C@@](c3ccc(cc3CC2)OC)(CC(CC1)(C)C)[H])C(=O)OC
SPLASH splash10-0udl-0279000000-848453e546209806294c
Source of Spectrum I-59-1014-0
Synonyms 7-Methoxy-10a .beta.-methoxycarbonyl-3,3-dimethyl-1,2,3,4,4a .alpha.,9,10,10a-octahydrophenanthrene Methyl (4bR,8aS)-2-methoxy-6,6-dimethyl-5,6,7,8,9,10-hexahydro-8a(4bH)-phenanthrenecarboxylate
Wiley ID 1304966