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(8R,9S,13S,14S,16R)-13-methyl-3-(oxan-2-yloxy)-16-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
SpectraBase Compound ID 871MRCmw069
InChI InChI=1S/C23H30O4/c1-23-10-9-17-16-8-6-15(27-21-4-2-3-11-26-21)12-14(16)5-7-18(17)19(23)13-20(24)22(23)25/h6,8,12,17-21,24H,2-5,7,9-11,13H2,1H3/t17-,18-,19+,20-,21?,23+/m1/s1
InChIKey YORHSSLXHJTUIP-GNEACOROSA-N
Mol Weight 370.49 g/mol
Molecular Formula C23H30O4
Exact Mass 370.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwcxkevO30q
Name (8R,9S,13S,14S,16R)-13-methyl-3-(oxan-2-yloxy)-16-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Alternate Name(s) (8R,9S,13S,14S,16R)-16-hydroxy-13-methyl-3-(2-oxanyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one (8R,9S,13S,14S,16R)-16-hydroxy-13-methyl-3-(oxan-2-yloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one (8R,9S,13S,14S,16R)-16-hydroxy-13-methyl-3-tetrahydropyran-2-yloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
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Formula C23H30O4
InChI InChI=1S/C23H30O4/c1-23-10-9-17-16-8-6-15(27-21-4-2-3-11-26-21)12-14(16)5-7-18(17)19(23)13-20(24)22(23)25/h6,8,12,17-21,24H,2-5,7,9-11,13H2,1H3/t17-,18-,19+,20-,21?,23+/m1/s1
InChIKey YORHSSLXHJTUIP-GNEACOROSA-N
Molecular Weight 370.489 g/mol
SMILES O[C@]1(C([C@@]2([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC2OCCCC2)c4)[H])(C1)[H])C)=O)[H]
SPLASH splash10-000i-9030000000-3826a9bf4665bf4d177f
Source of Spectrum E1-36-1626-3
Wiley ID 1574669