(7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,6R)-6-methyl-7-oxidanyl-heptan-2-yl]-7-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

SpectraBase Compound ID	BNV87qX2mjs
InChI	InChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h14,17-18,21-25,28,30H,5-13,15-16H2,1-4H3/t17-,18-,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChIKey	KVJVJJWIEXCECB-OICBIKJFSA-N Google Search
Mol Weight	416.6 g/mol
Molecular Formula	C27H44O3
Exact Mass	416.329045 g/mol

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SpectraBase Spectrum ID	2rBViYRad8x
Name	(7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,6R)-6-methyl-7-oxidanyl-heptan-2-yl]-7-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H44O3
InChI	InChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h14,17-18,21-25,28,30H,5-13,15-16H2,1-4H3/t17-,18-,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChIKey	KVJVJJWIEXCECB-OICBIKJFSA-N
Molecular Weight	416.646 g/mol
SMILES	O[C@]1([C@]2([C@]3([C@@]([C@@]([C@@](CCC[C@](CO)(C)[H])(C)[H])(CC3)[H])(CC[C@@]2([C@@]2(C(C1)=CC(CC2)=O)C)[H])C)[H])[H])[H]
SPLASH	splash10-02t9-0028900000-9d25d16a108c20ffd371
Source of Spectrum	F-53-8134-2
Synonyms	(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-17-[(1R,5R)-6-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one (7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Wiley ID	802459