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Methyl (2S,6R)-6-((5S,8R,10S,13R,14S,17R)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptanoate

View entire compound with spectra: 1 MS (GC)

Methyl (2S,6R)-6-((5S,8R,10S,13R,14S,17R)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptanoate
SpectraBase Compound ID DSkBfOdnDID
InChI InChI=1S/C28H46O3/c1-18(7-6-8-19(2)26(30)31-5)23-11-12-24-22-10-9-20-17-21(29)13-15-27(20,3)25(22)14-16-28(23,24)4/h18-20,22-25H,6-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25?,27+,28-/m1/s1
InChIKey BRIJUUXJRJMMPM-WFGFJXQJSA-N
Mol Weight 430.7 g/mol
Molecular Formula C28H46O3
Exact Mass 430.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3yP1cszcCEy
Name Methyl (2S,6R)-6-((5S,8R,10S,13R,14S,17R)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptanoate
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Formula C28H46O3
InChI InChI=1S/C28H46O3/c1-18(7-6-8-19(2)26(30)31-5)23-11-12-24-22-10-9-20-17-21(29)13-15-27(20,3)25(22)14-16-28(23,24)4/h18-20,22-25H,6-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25?,27+,28-/m1/s1
InChIKey BRIJUUXJRJMMPM-WFGFJXQJSA-N
Molecular Weight 430.673 g/mol
SMILES C1C(C[C@]2([C@](C1)(C1[C@@](CC2)([C@]2([C@](CC1)([C@](CC2)([C@](C)(CCC[C@@](C(OC)=O)(C)[H])[H])[H])C)[H])[H])C)[H])=O
SPLASH splash10-001i-6972100000-e0a09e5f5f90e3f2049c
Source of Spectrum Parag Mahanti, et al. Cell Metabolism, V.19, 2014, P.73-83
Wiley ID 1816308