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(+/-)-(4aS,8R,8aR,10aR,Z)-8-Hydroxy-3-(hydroxymethylene)-1,1,4a,8a-tetramethyl-3,4,4a,6,7,8,8a,9,10,10a-decahydrophenanthren-2(1H)-one
SpectraBase Compound ID 1gAYPrK1QTT
InChI InChI=1S/C19H28O3/c1-17(2)13-8-9-18(3)14(6-5-7-15(18)21)19(13,4)10-12(11-20)16(17)22/h6,11,13,15,20-21H,5,7-10H2,1-4H3/b12-11-/t13-,15+,18+,19-/m0/s1
InChIKey RMFNYJJRQJUWJS-VKJBMGAGSA-N
Mol Weight 304.43 g/mol
Molecular Formula C19H28O3
Exact Mass 304.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGzXLj4NGbq
Name (+/-)-(4aS,8R,8aR,10aR,Z)-8-Hydroxy-3-(hydroxymethylene)-1,1,4a,8a-tetramethyl-3,4,4a,6,7,8,8a,9,10,10a-decahydrophenanthren-2(1H)-one
Appearance Crystalline solid
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Formula C19H28O3
InChI InChI=1S/C19H28O3/c1-17(2)13-8-9-18(3)14(6-5-7-15(18)21)19(13,4)10-12(11-20)16(17)22/h6,11,13,15,20-21H,5,7-10H2,1-4H3/b12-11-/t13-,15+,18+,19-/m0/s1
InChIKey RMFNYJJRQJUWJS-VKJBMGAGSA-N
Instrument Name Micromass 70-VSE
Ionization Type EI
Literature Reference DOI 10.1021/jm101445p
Molecular Weight 304.430 g/mol
Reported Formula C19H28O3
SMILES O[C@@]1(CCC=C2[C@]1(CC[C@@]1([C@@]2(C\C(=C\O)C(C1(C)C)=O)C)[H])C)[H]
SPLASH splash10-02cr-0911000000-556444983b390b0985b9
Source of Spectrum AF-54-SM4-104
Wiley ID 1848755