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(1S,4aS)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester
SpectraBase Compound ID C6RJYAcKeNr
InChI InChI=1S/C18H24O2/c1-17-11-6-12-18(2,16(19)20-3)15(17)10-9-13-7-4-5-8-14(13)17/h4-5,7-8,15H,6,9-12H2,1-3H3/t15?,17-,18+/m1/s1
InChIKey ZOUKXUZJBJOWQH-KVJCIMDZSA-N
Mol Weight 272.39 g/mol
Molecular Formula C18H24O2
Exact Mass 272.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jpFgwphnq5
Name (1S,4aS)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester
Alternate Name(s) Methyl (1S,4aS)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
CAS Registry Number 16957-27-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O2
InChI InChI=1S/C18H24O2/c1-17-11-6-12-18(2,16(19)20-3)15(17)10-9-13-7-4-5-8-14(13)17/h4-5,7-8,15H,6,9-12H2,1-3H3/t15?,17-,18+/m1/s1
InChIKey ZOUKXUZJBJOWQH-KVJCIMDZSA-N
Molecular Weight 272.388 g/mol
SMILES [C@@]12(C([C@](C(=O)OC)(C)CCC2)CCc2c1cccc2)C
SPLASH splash10-052e-0980000000-e1c5853209290bee205c
Source of Spectrum J-55-3954-2
Wiley ID 1276610