AG007H7G

34209-81-9 | Pregn-5-en-20-one, 3-(acetyloxy)-16,17-epoxy-, (3β,16α)-

AG007H7G

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CAS Number	34209-81-9
Catalog Number	AG007H7G(AGN-PC-0WAIT1)
Chemical Name	Pregn-5-en-20-one, 3-(acetyloxy)-16,17-epoxy-, (3β,16α)-
EC Number	251-883-6
IUPAC Name	[(1R,2S,4R,6S,7S,10S,11R,14S)-6-acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate
InChI	InChI=1S/C23H32O4/c1-13(24)23-20(27-23)12-19-17-6-5-15-11-16(26-14(2)25)7-9-21(15,3)18(17)8-10-22(19,23)4/h5,16-20H,6-12H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23+/m0/s1
InChI Key	YRLVTBXOGJMZNC-QHKUYLHMSA-N
MDL Number	MFCD00135637
Molecular Formula	C23H32O4
Molecular Weight	372.4978
SMILES	CC([C@@]12[C@H](O2)C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@@]4([H])CC[C@]13C)=O
Synonyms	16,17-Epoxypregnenolone Acetate, 34209-81-9, 16alpha,17alpha-Epoxypregnenolone acetate, 3b-Acetoxy-16a,17-epoxypregn-5-en-20-one, 16alpha,17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate, Pregn-5-en-20-one, 3-(acetyloxy)-16,17-epoxy-, (3beta,16alpha)-, SCHEMBL11213362, CHEBI:34169, ZINC4081842, MFCD00135637, AKOS025310678, AJ-47900, ST2417845, C14635, 209E819, 3|A-Acetoxy-16|A,17|A-epoxypregn-5-en-20-one, 16|A,17|A-Epoxy-20-oxopregn-5-en-3|A-yl acetate, 3beta-Acetoxy-16alpha,17alpha-epoxypregna-5-ene-20-one, (3b,16a)-20-oxo-16,17-epoxypregn-5-en-3-yl acetate, (1R,2S,4R,6S,7S,10S,11R,14S)-6-acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.0^{2,7}.0^{4,6}.0^{11,16}]octadec-16-en-14-yl acetate, C23H32O4, EINECS 251-883-6, C23-H32-O4, CID7659351, 16-alpha,17-alpha-Epoxy-20-oxopregn-5-en-3-beta-yl acetate, Pregn-5-en-20-one, 16.alpha.,17-epoxy-3.beta.-hydroxy-, acetate, Pregn-5-en-20-one, 3-(acetyloxy)-16,17-epoxy-, (3.beta.,16.alpha.)-,

Complexity	741
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	372.23g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	372.505g/mol
Monoisotopic Mass	372.23g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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

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