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(1R,4aR,8aS)-Methyl 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-9-[(ethoxycarbonyl)methylene]-1,4a-dimethyl-7-(1'-methylethyl)phenanthrene-1-carboxylate

View entire compound with spectra: 1 MS (GC)

(1R,4aR,8aS)-Methyl 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-9-[(ethoxycarbonyl)methylene]-1,4a-dimethyl-7-(1'-methylethyl)phenanthrene-1-carboxylate
SpectraBase Compound ID 7lF2Ofzw2Dv
InChI InChI=1S/C25H38O4/c1-7-29-22(26)15-18-14-21-24(4,11-8-12-25(21,5)23(27)28-6)20-10-9-17(16(2)3)13-19(18)20/h13,15-16,19-21H,7-12,14H2,1-6H3/b18-15+/t19-,20?,21?,24-,25-/m1/s1
InChIKey UPLUKKJDGHYHIY-WHCOWROXSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5lpsAie04at
Name (1R,4aR,8aS)-Methyl 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-9-[(ethoxycarbonyl)methylene]-1,4a-dimethyl-7-(1'-methylethyl)phenanthrene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-7-29-22(26)15-18-14-21-24(4,11-8-12-25(21,5)23(27)28-6)20-10-9-17(16(2)3)13-19(18)20/h13,15-16,19-21H,7-12,14H2,1-6H3/b18-15+/t19-,20?,21?,24-,25-/m1/s1
InChIKey UPLUKKJDGHYHIY-WHCOWROXSA-N
Molecular Weight 402.575 g/mol
SMILES C12[C@@](C3CCC(=C[C@@]3(\C(C2)=C\C(=O)OCC)[H])C(C)C)(CCC[C@]1(C(=O)OC)C)C
SPLASH splash10-0a4i-0019100000-1a8ac72e226d4058a91b
Source of Spectrum AH-129-927-7
Synonyms Ethyl (2E)-[(4beta)-18-methoxy-18-oxoabiet-13-en-7-ylidene]ethanoate Methyl 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-9-[(ethoxycarbonyl)methylene]-1,4a-dimethyl-7-(1'-methylethyl)phenanthrene-1-carboxylate
Wiley ID 770506