AG008IUB

82543-16-6 | 3b,5b-Dihydroxy-6b,7b,15b,16b-dimethylene-5b-androst-17-one

AG008IUB

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CAS Number	82543-16-6
Catalog Number	AG008IUB(AGN-PC-0UMFOW)
Chemical Name	3b,5b-Dihydroxy-6b,7b,15b,16b-dimethylene-5b-androst-17-one
EC Number	617-347-4
IUPAC Name	(1R,2R,4R,5R,7S,10R,11S,14S,16S,18S,19S)-5,7-dihydroxy-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecan-15-one
InChI	InChI=1S/C21H30O3/c1-19-5-4-14-16(17(19)11-7-12(11)18(19)23)13-8-15(13)21(24)9-10(22)3-6-20(14,21)2/h10-17,22,24H,3-9H2,1-2H3/t10-,11+,12-,13-,14-,15+,16+,17-,19-,20+,21+/m0/s1
InChI Key	GWUFXQIQXPASJU-VJWUOOCFSA-N
MDL Number	MFCD09952196
Molecular Formula	C21H30O3
Molecular Weight	330.4611
SMILES	O=C1[C@@H]2[C@@H](C2)[C@@]3([C@@]1(CC[C@@]4([C@]5(CC[C@@H](C[C@]5([C@@H]6C[C@@H]6[C@@]34[H])O)O)C)[H])C)[H]
Synonyms	82543-16-6, 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one, 3beta,5-Dihydroxy-6beta,7beta;15beta,16beta-dimethylene-5beta-androstan-17-one, (2S,4aR,4bS,6aS,7aS,8aS,8bS,8cR,8dR,9aR,9bR)-2,9b-Dihydroxy-4a,6a-dimethylhexadecahydro-1H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthren-7(7aH)-one, Betamethasone(Celestone)/, SCHEMBL13936420, ABP000538, MFCD09952196, ZINC72399748, AKOS025311213, ACN-037306, API0000296, AC-28721, AS-13047, BC251446, ST24034140, 543D166, Q-102812, 6,7,15,16-Dimethylene-3 ,5 -Dihydroxyandrostan-17-one, 3?,5?-dihydroxy-6?,7?;15?,16?-dimethylene-androst-17-one, 6|A,7|A,15|A,16|A-Dimethylene-3|A,5|A-dihydroxyandrostan-17-one, 3beta,5-Dihydroxy-6beta,7beta:15beta,16beta-dimethylene-5beta-androstane-17-one, 3beta,5-dihydroxy-6beta,7beta;15beta,16beta-dimethylene-5beta-androstan-17-one (Q5), 3Beta,5-dihydroxy-6beta,7beta15beta,16beta-dimethylene-5beta-androstan-17-one, (2S,4aR,4bS,6aS,7aS,9aS,9bR,9cR,11aS)-2,11a-Dihydroxy-4a,6a-dimethyloctadecahydro-7H-cyclobuta[4,5]cyclopenta[1,2-a]phenanthren-7-on e, betamethasone, C21H30O3, H134, EC 617-347-4, 3|A,5-dihydroxy-6|A,7|A;15|A,16|A-dimethylene-5|A-androstan-17-one, 378-44-9, 3 beta,5-Dihydroxy-6 beta,7 beta;15 beta,16 beta-dimethylene-5 beta-androstan-17-one, (3S,5R,6R,7R,8R,9S,10R,13S,14S,15S, 16S)-Octadecahydro-3,5-dihydroxy-10,13-dimethyl-17H-dicyclopropa(6,7:15,16)cyclopenta(a)phenanthren-17-one,

Complexity	645
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	11
Defined Bond Stereocenter Count	0
Exact Mass	330.219g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	330.468g/mol
Monoisotopic Mass	330.219g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number