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26563-68-8 | Olean-12-en-28-oic acid, 2,3-dihydroxy-, (2α,3α)-
CAS No: 26563-68-8 Catalog No: AG002TOQ MDL No:MFCD09752402
Product Description
Catalog Number:
AG002TOQ
Chemical Name:
Olean-12-en-28-oic acid, 2,3-dihydroxy-, (2α,3α)-
CAS Number:
26563-68-8
MDL Number:
MFCD09752402
IUPAC Name:
(4aS,6aR,6aS,6bR,12aR,14bR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
InChI:
InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20?,21?,22-,23?,27+,28-,29-,30+/m1/s1
InChI Key:
MDZKJHQSJHYOHJ-UZYSUKNTSA-N
Properties
Complexity:
919
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
472.355g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
472.71g/mol
Monoisotopic Mass:
472.355g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
Literature
| Title | Journal |
|---|---|
| [Chemical constituents from Sinacalia davidii]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20100401 |
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