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(8S,9S,11S,13S,14S,16R)-11-methoxy-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 G3YtjhuW4ne
InChI InChI=1S/C24H32O5/c1-24-13-20(27-2)22-16-9-7-15(29-21-5-3-4-10-28-21)11-14(16)6-8-17(22)18(24)12-19(25)23(24)26/h7,9,11,17-22,25H,3-6,8,10,12-13H2,1-2H3/t17-,18-,19+,20-,21?,22+,24-/m0/s1
InChIKey NRYQZJBCDGXELY-DYLMVFQPSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H32O5
Exact Mass 400.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EFIdraEqX3
Name (8S,9S,11S,13S,14S,16R)-11-methoxy-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) (8S,9S,11S,13S,14S,16R)-16-hydroxy-11-methoxy-13-methyl-3-(2-oxanyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one (8S,9S,11S,13S,14S,16R)-16-hydroxy-11-methoxy-13-methyl-3-(oxan-2-yloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one (8S,9S,11S,13S,14S,16R)-16-hydroxy-11-methoxy-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 C24H32O5
InChI InChI=1S/C24H32O5/c1-24-13-20(27-2)22-16-9-7-15(29-21-5-3-4-10-28-21)11-14(16)6-8-17(22)18(24)12-19(25)23(24)26/h7,9,11,17-22,25H,3-6,8,10,12-13H2,1-2H3/t17-,18-,19+,20-,21?,22+,24-/m0/s1
InChIKey NRYQZJBCDGXELY-DYLMVFQPSA-N
Molecular Weight 400.515 g/mol
SMILES O[C@]1(C([C@@]2([C@]([C@@]3(CCc4c([C@]3([C@](C2)(OC)[H])[H])ccc(OC2OCCCC2)c4)[H])(C1)[H])C)=O)[H]
SPLASH splash10-000b-8912000000-439bfcc2fdc9362a578d
Source of Spectrum E1-36-1625-3
Wiley ID 1574671