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

SpectraBase Compound ID	5VaSgsHT9hA
InChI	InChI=1S/C26H42O3/c1-16(6-5-7-17(2)27)21-10-11-22-20-9-8-18-14-19(28)15-24(29)26(18,4)23(20)12-13-25(21,22)3/h8,16,19-24,28-29H,5-7,9-15H2,1-4H3/t16-,19-,20+,21-,22+,23+,24+,25-,26+/m1/s1
InChIKey	NMNMLVPZRZSELD-FONSGGKWSA-N Google Search
Mol Weight	402.6 g/mol
Molecular Formula	C26H42O3
Exact Mass	402.313395 g/mol

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SpectraBase Spectrum ID	Bfrcaqo4b9
Name	(6R)-6-[(1S,3R,8S,9S,10R,13R,14S,17R)-1,3-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-heptanone
Alternate Name(s)	(6R)-6-[(1S,3R,8S,9S,10R,13R,14S,17R)-1,3-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-2-one (6R)-6-[(1S,3R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-1,3-bis(oxidanyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-2-one
CAS Registry Number	77531-49-8
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H42O3
InChI	InChI=1S/C26H42O3/c1-16(6-5-7-17(2)27)21-10-11-22-20-9-8-18-14-19(28)15-24(29)26(18,4)23(20)12-13-25(21,22)3/h8,16,19-24,28-29H,5-7,9-15H2,1-4H3/t16-,19-,20+,21-,22+,23+,24+,25-,26+/m1/s1
InChIKey	NMNMLVPZRZSELD-FONSGGKWSA-N
Molecular Weight	402.619 g/mol
SMILES	O[C@]1(C[C@@](CC=2[C@]1([C@]1(CC[C@@]3([C@](CC[C@]3([C@@]1(CC2)[H])[H])([C@@](CCCC(=O)C)(C)[H])[H])C)[H])C)(O)[H])[H]
SPLASH	splash10-01pp-8229000000-e83202ac2b76cc52b4d1
Source of Spectrum	H-65-1514-0
Wiley ID	1370623