AG00DDTO

50588-42-6 | (5a)-Androsta-2,16-dien-17-ol 17-Acetate

AG00DDTO

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CAS Number	50588-42-6
Catalog Number	AG00DDTO(AGN-PC-0OBDEI)
Chemical Name	(5a)-Androsta-2,16-dien-17-ol 17-Acetate
EC Number	610-545-1
IUPAC Name	[(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
InChI	InChI=1S/C21H30O2/c1-14(22)23-19-10-9-17-16-8-7-15-6-4-5-12-20(15,2)18(16)11-13-21(17,19)3/h4-5,10,15-18H,6-9,11-13H2,1-3H3/t15-,16+,17+,18+,20+,21+/m1/s1
InChI Key	PEPMRHLQYPCJPR-KPKYYQPRSA-N
MDL Number	MFCD00271146
Molecular Formula	C21H30O2
Molecular Weight	314.4617
SMILES	[H][C@@]12CC=C(OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC=CC[C@]12C
Synonyms	17-Acetoxy-5a-androsta-2,16-diene, 50588-42-6, (5S,8R,9S,10S,13S,14S)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate, (5alpha)-Androsta-2,16-dien-17-yl acetate, ADN030, SCHEMBL20527966, DTXSID50677362, BCP13480, BCP22386, ZINC2562680, MFCD00271146, AKOS015907218, 17-Acetoxy-5 -androsta-2,16-diene, 17-Acetoxy-5?-androsta-2,16-diene, 112GI010, AJ-40788, AX8033848, o-1H-cyclopenta[a]phenanthren-17-yl acetate, ST24038250, Z6160, Androsta-2,16-dien-17-ol, acetate, (5|A)-, (5alpha)-Androsta-2,16-dien-17-ol 17-Acetate, 588A426, Q-101011, I14-20257, (5S,8R,9S,10S,13S,14S)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15-dodecahydr, [(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate, C21H30O2, 17-Acetoxy-5|A-androsta-2,16-diene, EC 610-545-1, 2a,3a,16a,17a-Diepoxy-17b-acetoxy-5a-androstane, (2a,3a,5a,16a,17?)-Androstan-17-ol-2,3,16,17-diepoxy acetate, 50588-22-2,

Complexity	574
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Exact Mass	314.225g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	314.469g/mol
Monoisotopic Mass	314.225g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number