28-HYDROXY-LUP-20(29)-EN-3-ONE

SpectraBase Compound ID	4DpITcdlnKY
InChI	InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-23,25,31H,1,8-18H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1
InChIKey	JYDNKGUBLIKNAM-CNRMHUMKSA-N Google Search
Mol Weight	440.7 g/mol
Molecular Formula	C30H48O2
Exact Mass	440.365431 g/mol

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SpectraBase Spectrum ID	9iIzsHWwvll
Name	(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-3a-methylol-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
Alternate Name(s)	(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H48O2
InChI	InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-23,25,31H,1,8-18H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1
InChIKey	JYDNKGUBLIKNAM-CNRMHUMKSA-N
Molecular Weight	440.712 g/mol
SMILES	OC[C@@]12CC[C@]3([C@]4([C@]([C@]5(CCC(C([C@@]5(CC4)[H])(C)C)=O)C)([H])CC[C@@]3([C@]1([C@](C(=C)C)(CC2)[H])[H])[H])C)C
SPLASH	splash10-0a59-9330600000-2af2f73e9404ca3967bd
Source of Spectrum	G-59-1425-0
Wiley ID	748834