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Methyl 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-7-[3'-(hydroxycarbonyl)propanoyl]-1-phenanthrenecarboxylate
SpectraBase Compound ID HvMZyaXNEjk
InChI InChI=1S/C23H34O5/c1-21(18(24)8-9-19(25)26)13-10-16-15(14-21)6-7-17-22(16,2)11-5-12-23(17,3)20(27)28-4/h14,16-17H,5-13H2,1-4H3,(H,25,26)
InChIKey QHUKBWODKDPNMW-UHFFFAOYSA-N
Mol Weight 390.5 g/mol
Molecular Formula C23H34O5
Exact Mass 390.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37897eVpRoG
Name Methyl 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-7-[3'-(hydroxycarbonyl)propanoyl]-1-phenanthrenecarboxylate
CAS Registry Number 142810-92-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O5
InChI InChI=1S/C23H34O5/c1-21(18(24)8-9-19(25)26)13-10-16-15(14-21)6-7-17-22(16,2)11-5-12-23(17,3)20(27)28-4/h14,16-17H,5-13H2,1-4H3,(H,25,26)
InChIKey QHUKBWODKDPNMW-UHFFFAOYSA-N
Molecular Weight 390.520 g/mol
SMILES OC(CCC(C1(CCC2C(=C1)CCC1C2(CCCC1(C(=O)OC)C)C)C)=O)=O
SPLASH splash10-00g0-0890000000-ae7fd87cbc8935396597
Source of Spectrum U-1992-1022-9
Synonyms 4-[8-(methoxycarbonyl)-2,4b,8-trimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-2-yl]-4-oxobutanoic acid
Wiley ID 764557