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24-Methyl-3-oxo-5.beta.-chol-7-enoate
SpectraBase Compound ID CEDKv8doV3q
InChI InChI=1S/C25H38O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h7,16-17,20-22H,5-6,8-15H2,1-4H3/t16-,17-,20-,21+,22+,24+,25-/m1/s1
InChIKey BYCDWBWBIQQDRC-KSTBNIIGSA-N
Mol Weight 386.6 g/mol
Molecular Formula C25H38O3
Exact Mass 386.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hpb1rJoB1t9
Name 24-Methyl-3-oxo-5.beta.-chol-7-enoate
Alternate Name(s) (4R)-4-[(5R,9R,10S,13R,14R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester (4R)-4-[(5R,9R,10S,13R,14R,17R)-3-keto-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Methyl (4R)-4-[(5R,9R,10S,13R,14R,17R)-10,13-dimethyl-3-oxidanylidene-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate Methyl (4R)-4-[(5R,9R,10S,13R,14R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
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Formula C25H38O3
InChI InChI=1S/C25H38O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h7,16-17,20-22H,5-6,8-15H2,1-4H3/t16-,17-,20-,21+,22+,24+,25-/m1/s1
InChIKey BYCDWBWBIQQDRC-KSTBNIIGSA-N
Molecular Weight 386.576 g/mol
SMILES C=12[C@]3([C@]([C@@]([C@@](CCC(=O)OC)(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(CCC(C[C@]2(CC1)[H])=O)C)[H])[H]
SPLASH splash10-0uy0-0019000000-6ed919d4ef8f0db3ee59
Source of Spectrum F-49-2492-12
Wiley ID 1362932