(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 Google Search
Mol Weight	400.5 g/mol
Molecular Formula	C24H32O5
Exact Mass	400.224974 g/mol

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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
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Synonyms	(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
Wiley ID	1574671