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55785-23-4 | 12β-Acetyloxy-11α-(3-pyridylcarbonyloxy)-5α-pregnane-3β,14β,20-triol
CAS No: 55785-23-4 Catalog No: AG00DMER MDL No:
Product Description
Catalog Number:
AG00DMER
Chemical Name:
12β-Acetyloxy-11α-(3-pyridylcarbonyloxy)-5α-pregnane-3β,14β,20-triol
CAS Number:
55785-23-4
IUPAC Name:
[(3S,5S,8R,9S,10S,11S,12S,13S,14S,17S)-12-acetyloxy-3,14-dihydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl] pyridine-3-carboxylate
InChI:
InChI=1S/C29H41NO7/c1-16(31)21-10-12-29(35)22-8-7-19-14-20(33)9-11-27(19,3)23(22)24(25(28(21,29)4)36-17(2)32)37-26(34)18-6-5-13-30-15-18/h5-6,13,15-16,19-25,31,33,35H,7-12,14H2,1-4H3/t16?,19-,20-,21+,22+,23+,24-,25+,27-,28-,29-/m0/s1
InChI Key:
CQNYSPSUCSXRLG-NUVJVIERSA-N
UNII:
5R69P54HKA
Properties
Complexity:
898
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
515.288g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
515.647g/mol
Monoisotopic Mass:
515.288g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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