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(1R,5aS,10aS,12aS)-10a,12a-dimethyl-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol
SpectraBase Compound ID HB3mCApWwU
InChI InChI=1S/C20H29NO2/c1-19-8-7-16-14(15(19)5-6-18(19)22)4-3-13-9-17-12(11-21-23-17)10-20(13,16)2/h11,13-16,18,22H,3-10H2,1-2H3/t13-,14?,15?,16?,18+,19-,20-/m0/s1
InChIKey FOCHADJYNFKGMY-UOMWKBNXSA-N
Mol Weight 315.46 g/mol
Molecular Formula C20H29NO2
Exact Mass 315.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWOoW6H8u3V
Name (1R,5aS,10aS,12aS)-10a,12a-dimethyl-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO2
InChI InChI=1S/C20H29NO2/c1-19-8-7-16-14(15(19)5-6-18(19)22)4-3-13-9-17-12(11-21-23-17)10-20(13,16)2/h11,13-16,18,22H,3-10H2,1-2H3/t13-,14?,15?,16?,18+,19-,20-/m0/s1
InChIKey FOCHADJYNFKGMY-UOMWKBNXSA-N
Literature Reference DOI 10.1016/j.jpba.2016.02.031
Molecular Weight 315.457 g/mol
SMILES O[C@@]1(CCC2C3CC[C@]4(Cc5c(C[C@@]4(C3CC[C@]12C)C)cno5)[H])[H]
SPLASH splash10-0frt-6951000000-67b83cfd31529f5ede1e
Source of Spectrum Christopher C. Waller, et al. Journal of Pharmaceutical and Biomedical Analysis, doi:10.1016/j.jpba.2016.02.031
Wiley ID 1816019