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113558-03-5 | Urs-12-en-28-oic acid, 1,2,3,19-tetrahydroxy-, (1β,2α,3β)-
CAS No: 113558-03-5 Catalog No: AG0008Z3 MDL No:MFCD20274899
Product Description
Catalog Number:
AG0008Z3
Chemical Name:
Urs-12-en-28-oic acid, 1,2,3,19-tetrahydroxy-, (1β,2α,3β)-
CAS Number:
113558-03-5
MDL Number:
MFCD20274899
IUPAC Name:
(1R,2R,4aS,6aS,6aS,6bR,8aS,10R,11S,12S,12aR,14bS)-1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
InChI:
InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18+,19+,20+,21-,22+,23-,26-,27-,28+,29-,30+/m1/s1
InChI Key:
VULLSLYDWNGNKZ-VVEUJWIUSA-N
Properties
Complexity:
990
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
12
Defined Bond Stereocenter Count:
0
Exact Mass:
504.345g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
504.708g/mol
Monoisotopic Mass:
504.345g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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