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(1R,4aR,7R)-Methyl 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-7-(4'-pentenoyl)-1-phenanthrenecarboxylate
SpectraBase Compound ID 4UHekQwz3QM
InChI InChI=1S/C24H36O3/c1-6-7-9-20(25)22(2)15-12-18-17(16-22)10-11-19-23(18,3)13-8-14-24(19,4)21(26)27-5/h6,16,18-19H,1,7-15H2,2-5H3/t18?,19?,22-,23-,24-/m1/s1
InChIKey DGSBQUDIGCUNMB-MDTCNTHCSA-N
Mol Weight 372.5 g/mol
Molecular Formula C24H36O3
Exact Mass 372.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9wefw8yK1p
Name (1R,4aR,7R)-Methyl 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-7-(4'-pentenoyl)-1-phenanthrenecarboxylate
CAS Registry Number 142810-90-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O3
InChI InChI=1S/C24H36O3/c1-6-7-9-20(25)22(2)15-12-18-17(16-22)10-11-19-23(18,3)13-8-14-24(19,4)21(26)27-5/h6,16,18-19H,1,7-15H2,2-5H3/t18?,19?,22-,23-,24-/m1/s1
InChIKey DGSBQUDIGCUNMB-MDTCNTHCSA-N
Molecular Weight 372.549 g/mol
SMILES [C@@]12(C([C@@](C(=O)OC)(C)CCC2)CCC=2C1CC[C@](C(=O)CCC=C)(C)C2)C
SPLASH splash10-00g0-2890000000-862eda529a878f005d91
Source of Spectrum U-1992-1022-7
Synonyms Methyl (1R,4aR,7R)-1,4a,7-trimethyl-7-(pent-4-enoyl)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carboxylate Methyl 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-7-(4'-pentenoyl)-1-phenanthrenecarboxylate
Wiley ID 764559