AG001OX3

156722-18-8 | 24-​Norchola-​20,​22-​diene-​3,​14,​17-​triol, 21,​23-​epoxy-​, (3β,​5β,​14β)​-

AG001OX3

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CAS Number	156722-18-8
Catalog Number	AG001OX3(AGN-PC-0Q74XJ)
Chemical Name	24-​Norchola-​20,​22-​diene-​3,​14,​17-​triol, 21,​23-​epoxy-​, (3β,​5β,​14β)​-
IUPAC Name	(3S,5R,8R,9S,10S,13S,14S,17S)-17-(furan-3-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,14,17-triol
InChI	InChI=1S/C23H34O4/c1-20-8-5-17(24)13-15(20)3-4-19-18(20)6-9-21(2)22(25,10-11-23(19,21)26)16-7-12-27-14-16/h7,12,14-15,17-19,24-26H,3-6,8-11,13H2,1-2H3/t15-,17+,18+,19-,20+,21-,22+,23+/m1/s1
InChI Key	AEAPORIZZWBIEX-DTBDINHYSA-N
MDL Number	MFCD00927279
Molecular Formula	C23H34O4
Molecular Weight	374.5137
SMILES	O[C@]12[C@@](C)([C@@](CC2)(O)c2ccoc2)CC[C@H]2[C@H]1CC[C@H]1[C@]2(C)CC[C@@H](C1)O
UNII	P848LCX62B
Synonyms	17-(3-furyl)-5beta-androstane-3,14,17-triol, PST 2238, PST-2238, rostafuroxin, Rostafuroxin, 156722-18-8, PST 2238, PST-2238, Rostafuroxin (PST 2238), UNII-P848LCX62B, 24-Norchola-20,22-diene-3,14,17-triol, 21,23-epoxy-, (3beta,5beta,14beta)-, P848LCX62B, PST2238, Rostafuroxin [INN], PST 2238(Rostafuroxin), AC1L4BGU, Rostafuroxin(PST 2238), SCHEMBL1716210, CHEMBL2068971, AOB2537, EX-A192, ZINC3802462, 4016AH, AKOS025142085, CS-3295, DB12350, BC600622, HY-12283, B5894, J-690210, 3?,5?,14?)-21,23-Epoxy-24-norchola-20,22-diene-3,14,17-triol, (3beta,5beta,14beta)-21,23-Epoxy-24-Norchola-20,22-diene-3,14,17-triol, 21,23-Epoxy-24-nor-14beta,5beta-chola-20,21-diene-3beta,14,17alpha-triol, (1S,2S,5S,7R,10R,11S,14R,15S)-14-(furan-3-yl)-2,15-dimethyltetracyclo[8.7.0.0?,?.0??,??]heptadecane-5,11,14-triol, (3S,5R,8R,9S,10S,13S,14S,17S)-17-(furan-3-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,14,17-triol, (3S,5R,8R,9S,10S,13S,14S,17S)-17-(furan-3-yl)-10,13-dimethylhexadecahydro-14H-cyclopenta[a]phenanthrene-3,14,17-triol, (4-{[5-Chloro-4-(methylamino)-3H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxyphenyl)(4-morpholinyl)methanone, D08UUK, C23H34O4, CID153976, ACN-030379, Na+ K+ ATPase (oral, hypertension), Sigma-Tau, 17-(3-Furyl)-5beta-androstane-3,14,17-triol, C106263, 3beta,5beta,14beta)-21,23-Epoxy-24-norchola-20,22-diene-3,14,17-triol,

Complexity	609
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	374.246g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	374.521g/mol
Monoisotopic Mass	374.246g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	73.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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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