25-nor-12.alpha.-Acetoxy-16.beta.[(3'-hydroxybutanoyl)oxy]-20,24-dimethyl-24-oxo-Scalarane

SpectraBase Compound ID	CXVB8j98uCM
InChI	InChI=1S/C32H52O6/c1-9-29(5)12-10-13-30(6)24(29)11-14-31(7)25-16-23(38-28(36)15-19(2)33)22(20(3)34)18-32(25,8)27(17-26(30)31)37-21(4)35/h19,22-27,33H,9-18H2,1-8H3/t19?,22-,23+,24+,25+,26-,27+,29+,30+,31+,32-/m1/s1
InChIKey	QKFOKOSAVFQACN-QLFIIEQTSA-N Google Search
Mol Weight	532.8 g/mol
Molecular Formula	C32H52O6
Exact Mass	532.376389 g/mol

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SpectraBase Spectrum ID	G6Qhefocyhv
Name	25-nor-12.alpha.-Acetoxy-16.beta.[(3'-hydroxybutanoyl)oxy]-20,24-dimethyl-24-oxo-Scalarane
Alternate Name(s)	3-Hydroxybutanoic acid [(2S,3S,4aS,4bR,6aS,7S,10aS,10bR,12S,12aR)-2-acetyl-12-acetyloxy-7-ethyl-4b,7,10a,12a-tetramethyl-1,2,3,4,4a,5,6,6a,8,9,10,10b,11,12-tetradecahydrochrysen-3-yl] ester [(2S,3S,4aS,4bR,6aS,7S,10aS,10bR,12S,12aR)-2-acetyl-12-acetyloxy-7-ethyl-4b,7,10a,12a-tetramethyl-1,2,3,4,4a,5,6,6a,8,9,10,10b,11,12-tetradecahydrochrysen-3-yl] 3-hydroxybutanoate [(2S,3S,4aS,4bR,6aS,7S,10aS,10bR,12S,12aR)-12-acetoxy-2-acetyl-7-ethyl-4b,7,10a,12a-tetramethyl-1,2,3,4,4a,5,6,6a,8,9,10,10b,11,12-tetradecahydrochrysen-3-yl] 3-hydroxybutanoate [(2S,3S,4aS,4bR,6aS,7S,10aS,10bR,12S,12aR)-12-acetyloxy-2-ethanoyl-7-ethyl-4b,7,10a,12a-tetramethyl-1,2,3,4,4a,5,6,6a,8,9,10,10b,11,12-tetradecahydrochrysen-3-yl] 3-oxidanylbutanoate
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Formula	C32H52O6
InChI	InChI=1S/C32H52O6/c1-9-29(5)12-10-13-30(6)24(29)11-14-31(7)25-16-23(38-28(36)15-19(2)33)22(20(3)34)18-32(25,8)27(17-26(30)31)37-21(4)35/h19,22-27,33H,9-18H2,1-8H3/t19?,22-,23+,24+,25+,26-,27+,29+,30+,31+,32-/m1/s1
InChIKey	QKFOKOSAVFQACN-QLFIIEQTSA-N
Molecular Weight	532.762 g/mol
SMILES	OC(CC(O[C@@]1([C@](C(=O)C)([H])C[C@@]2([C@]([C@]3([C@@]([C@]4(CCC[C@@]([C@@]4(CC3)[H])(CC)C)C)(C[C@@]2(OC(=O)C)[H])[H])C)(C1)[H])C)[H])=O)C
SPLASH	splash10-014i-0019100000-afe70e060e23c7bdef6f
Source of Spectrum	G4-62-377-1
Wiley ID	1607808