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57126-62-2 | Charantin
CAS No: 57126-62-2 Catalog No: AG003AHQ MDL No:
Product Description
Catalog Number:
AG003AHQ
Chemical Name:
Charantin
CAS Number:
57126-62-2
IUPAC Name:
2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol;2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C35H60O6.C35H58O6/c2*1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3;10,21-22,24-33,36-39H,2,7-9,11-19H2,1,3-6H3/t2*21-,22-,24+,25+,26-,27+,28+,29?,30?,31?,32?,33?,34+,35-/m11/s1
InChI Key:
LDASQDTWGMPHCX-UXDSRDRISA-N
Properties
Complexity:
1880
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
18
Defined Bond Stereocenter Count:
0
Exact Mass:
1150.862g/mol
Formal Charge:
0
Heavy Atom Count:
82
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
1151.702g/mol
Monoisotopic Mass:
1150.862g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
199A^2
Undefined Atom Stereocenter Count:
10
Undefined Bond Stereocenter Count:
0
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