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55785-27-8 | 20-(3-Pyridylcarbonyloxy)-5α-pregnane-3β,11α,12β,14β-tetrol
CAS No: 55785-27-8 Catalog No: AG00E65S MDL No:
Product Description
Catalog Number:
AG00E65S
Chemical Name:
20-(3-Pyridylcarbonyloxy)-5α-pregnane-3β,11α,12β,14β-tetrol
CAS Number:
55785-27-8
IUPAC Name:
1-[(3S,5S,8R,9S,10S,11S,12S,13S,14S,17S)-3,11,12,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl pyridine-3-carboxylate
InChI:
InChI=1S/C27H39NO6/c1-15(34-24(32)16-5-4-12-28-14-16)19-9-11-27(33)20-7-6-17-13-18(29)8-10-25(17,2)21(20)22(30)23(31)26(19,27)3/h4-5,12,14-15,17-23,29-31,33H,6-11,13H2,1-3H3/t15?,17-,18-,19+,20+,21+,22-,23+,25-,26-,27-/m0/s1
InChI Key:
YXVMXCMMJVQPPS-HIGGUUCMSA-N
UNII:
0P6X30QT8M
Properties
Complexity:
793
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
473.278g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
473.61g/mol
Monoisotopic Mass:
473.278g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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