(6R)-6-[(3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptan-3-one

SpectraBase Compound ID	JCwedU0bU3c
InChI	InChI=1S/C27H44O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h15-17,19-22,24-25,28,30H,6-14H2,1-5H3/t17-,19+,20-,21+,22+,24-,25+,26+,27-/m1/s1
InChIKey	IDTRTXTWGAYTFN-KIXKDDPBSA-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	6klW9rkKzk5
Name	(6R)-6-[(3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptan-3-one
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H44O3
InChI	InChI=1S/C27H44O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h15-17,19-22,24-25,28,30H,6-14H2,1-5H3/t17-,19+,20-,21+,22+,24-,25+,26+,27-/m1/s1
InChIKey	IDTRTXTWGAYTFN-KIXKDDPBSA-N
Molecular Weight	416.646 g/mol
SMILES	O[C@@]1(C=C2[C@](CC[C@@](C2)(O)[H])([C@]2(CC[C@@]3([C@](CC[C@]3([C@]12[H])[H])([C@@](CCC(C(C)C)=O)(C)[H])[H])C)[H])C)[H]
SPLASH	splash10-00di-9100000000-75c2785c15a8a189a004
Source of Spectrum	X2-57-626-8
Synonyms	(6R)-6-[(3S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-heptanone (6R)-6-[(3S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptan-3-one
Wiley ID	1605407