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Methyl (2S,6R)-6-((8S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptanoate

View entire compound with spectra: 1 MS (GC)

Methyl (2S,6R)-6-((8S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptanoate
SpectraBase Compound ID IsWRi4abmEi
InChI InChI=1S/C28H44O3/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/h17-19,22-25H,6-16H2,1-5H3/t18-,19+,22+,23-,24+,25?,27+,28-/m1/s1
InChIKey YCMCZAOYUJSOBD-IJZWQWLDSA-N
Mol Weight 428.7 g/mol
Molecular Formula C28H44O3
Exact Mass 428.329045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GIjT7WJNi01
Name Methyl (2S,6R)-6-((8S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44O3
InChI InChI=1S/C28H44O3/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/h17-19,22-25H,6-16H2,1-5H3/t18-,19+,22+,23-,24+,25?,27+,28-/m1/s1
InChIKey YCMCZAOYUJSOBD-IJZWQWLDSA-N
Molecular Weight 428.657 g/mol
SMILES C1C(C=C2[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)=O
SPLASH splash10-0adj-4932100000-704c13847149567c277b
Source of Spectrum Parag Mahanti, et al. Cell Metabolism, V.19, 2014, P.73-83
Wiley ID 1816306