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3-O-.delta(4).-17.beta.-acetoxy-15.beta.,16.beta.-methyleneandrostane
SpectraBase Compound ID Gar5A7SE6Tv
InChI InChI=1S/C27H25NO/c29-25-24(21-12-4-1-5-13-21)26(22-14-6-2-7-15-22)20-27(26,23-16-8-3-9-17-23)28(25)18-10-11-19-28/h1-9,12-17H,10-11,18-20H2
InChIKey NVZDUZRCAIHRRZ-UHFFFAOYSA-N
Mol Weight 379.5 g/mol
Molecular Formula C27H25NO
Exact Mass 379.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DazZA4sgPB9
Name 3-O-.delta(4).-17.beta.-acetoxy-15.beta.,16.beta.-methyleneandrostane
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Formula C27H25NO
InChI InChI=1S/C27H25NO/c29-25-24(21-12-4-1-5-13-21)26(22-14-6-2-7-15-22)20-27(26,23-16-8-3-9-17-23)28(25)18-10-11-19-28/h1-9,12-17H,10-11,18-20H2
InChIKey NVZDUZRCAIHRRZ-UHFFFAOYSA-N
Molecular Weight 379.503 g/mol
SMILES C12(C(C(c3ccccc3)=C([N+]11CCCC1)[O-])(c1ccccc1)C2)c1ccccc1
SPLASH splash10-0gdi-0192000000-3ea9e6b8f0b830b9c2d0
Source of Spectrum K-107-2200-10a
Synonyms N,N-Diethyl-2-azoniabicyclo[3.1.0]hex-3-en-3-alaten Acetic acid 10,13-dimethyl-3-oxo-1,2,3,6,7,8,9,10,11,12,13,14,15,16,17,20-hexadecahydro-cyclopropa[15,16]cyclopenta[a]phenanthren-17-yl ester
Wiley ID 860778