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119725-19-8 | Urs-12-en-28-oic acid, 2,3,19-trihydroxy-, (2β,3β)-
CAS No: 119725-19-8 Catalog No: AG000PKO MDL No:MFCD20261007
Product Description
Catalog Number:
AG000PKO
Chemical Name:
Urs-12-en-28-oic acid, 2,3,19-trihydroxy-, (2β,3β)-
CAS Number:
119725-19-8
MDL Number:
MFCD20261007
IUPAC Name:
(1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-1,10,11-trihydroxy-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/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19+,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1
InChI Key:
OXVUXGFZHDKYLS-VCFAZYFWSA-N
Properties
Complexity:
956
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
11
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:
1
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Antimycobacterial plant terpenoids. | Planta medica 20011101 |
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