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

SpectraBase Compound ID	9hwhyYuBE4D
InChI	InChI=1S/C27H44O4/c1-15(2)21(29)9-6-16(3)20-13-22(30)24-19-8-7-17-12-18(28)10-11-26(17,4)25(19)23(31)14-27(20,24)5/h7,15-16,18-20,22-25,28,30-31H,6,8-14H2,1-5H3/t16-,18+,19+,20-,22-,23-,24-,25-,26+,27-/m1/s1
InChIKey	SWEXUDPWVQITIV-GIWSUMSBSA-N Google Search
Mol Weight	432.6 g/mol
Molecular Formula	C27H44O4
Exact Mass	432.32396 g/mol

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SpectraBase Spectrum ID	6SM4fUSbkf0
Name	(6R)-2-methyl-6-[(3S,8S,9S,10R,11R,13R,14S,15R,17R)-3,11,15-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-heptanone
CAS Registry Number	129956-82-7
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H44O4
InChI	InChI=1S/C27H44O4/c1-15(2)21(29)9-6-16(3)20-13-22(30)24-19-8-7-17-12-18(28)10-11-26(17,4)25(19)23(31)14-27(20,24)5/h7,15-16,18-20,22-25,28,30-31H,6,8-14H2,1-5H3/t16-,18+,19+,20-,22-,23-,24-,25-,26+,27-/m1/s1
InChIKey	SWEXUDPWVQITIV-GIWSUMSBSA-N
Molecular Weight	432.645 g/mol
SMILES	O[C@@]1(C[C@]2([C@@]([C@@](C[C@@]2([C@@](CCC(=O)C(C)C)(C)[H])[H])(O)[H])([C@@]2(CC=C3[C@@]([C@@]12[H])(CC[C@@](C3)(O)[H])C)[H])[H])C)[H]
SPLASH	splash10-02it-0933500000-67a21ae1e467b84fbce0
Source of Spectrum	F-46-2298-21
Synonyms	(6R)-2-methyl-6-[(3S,8S,9S,10R,11R,13R,14S,15R,17R)-3,11,15-trihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-3-one (6R)-6-[(3S,8S,9S,10R,11R,13R,14S,15R,17R)-10,13-dimethyl-3,11,15-tris(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
Wiley ID	1382467