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102519-34-6 | Olean-12-en-28-oic acid, 2,3,23-trihydroxy-, (2α,3α,4α)-
CAS No: 102519-34-6 Catalog No: AG0007MN MDL No:MFCD17214839
Product Description
Catalog Number:
AG0007MN
Chemical Name:
Olean-12-en-28-oic acid, 2,3,23-trihydroxy-, (2α,3α,4α)-
CAS Number:
102519-34-6
MDL Number:
MFCD17214839
IUPAC Name:
(4aS,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
InChI:
InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23+,26-,27-,28+,29+,30-/m0/s1
InChI Key:
RWNHLTKFBKYDOJ-LHFSSXJCSA-N
Properties
Complexity:
941
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
488.35g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
488.709g/mol
Monoisotopic Mass:
488.35g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
Literature
| Title | Journal |
|---|---|
| Anti-inflammatory triterpenes from the leaves of Rosa laevigata. | Journal of natural products 20110425 |
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