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(Z)-6-[3-(methoxymethoxy)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethyl-4-heptenoic acid methyl ester
SpectraBase Compound ID IRLYWrt61Z3
InChI InChI=1S/C31H48O4/c1-20(22(3)29(32)34-7)8-9-21(2)26-12-13-27-25-11-10-23-18-24(35-19-33-6)14-16-30(23,4)28(25)15-17-31(26,27)5/h8-11,20-22,24,26-28H,12-19H2,1-7H3/b9-8-
InChIKey ZYBATXXLGRQNNW-HJWRWDBZSA-N
Mol Weight 484.7 g/mol
Molecular Formula C31H48O4
Exact Mass 484.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8c64q2hkOcd
Name (Z)-6-[3-(methoxymethoxy)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethyl-4-heptenoic acid methyl ester
Comments Note: The molecular formula of the structure shown is C31H48O4 - which differs from the formula reported for the mass spectrum (C30H48O3)
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Formula C30H48O3
InChI InChI=1S/C31H48O4/c1-20(22(3)29(32)34-7)8-9-21(2)26-12-13-27-25-11-10-23-18-24(35-19-33-6)14-16-30(23,4)28(25)15-17-31(26,27)5/h8-11,20-22,24,26-28H,12-19H2,1-7H3/b9-8-
InChIKey ZYBATXXLGRQNNW-HJWRWDBZSA-N
Molecular Weight 484.721 g/mol
SMILES C(=O)(C(C(\C=C/C(C1CCC2C1(CCC1C3(CCC(CC3=CC=C21)OCOC)C)C)C)C)C)OC
SPLASH splash10-0007-9624000000-12237448d805b2a3283f
Synonyms 3-(Methoxymethoxy)-ergost-5,7,22-trien-27-oic acid methyl ester (Z)-6-[3-(methoxymethoxy)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethyl-hept-4-enoic acid methyl ester Methyl (22Z)-3-(methoxymethoxy)ergosta-5,7,22-trien-26-oate Methyl (Z)-6-[3-(methoxymethoxy)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethyl-hept-4-enoate
Wiley ID 1483322