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139122-81-9 | Kauran-18-oic acid, 16,20-dihydroxy-, δ-lactone, (4α)-
CAS No: 139122-81-9 Catalog No: AG001ACL MDL No:MFCD00908923
Product Description
Catalog Number:
AG001ACL
Chemical Name:
Kauran-18-oic acid, 16,20-dihydroxy-, δ-lactone, (4α)-
CAS Number:
139122-81-9
MDL Number:
MFCD00908923
IUPAC Name:
(1R,2R,5R,6R,8S,11S,12R)-6-hydroxy-6,12-dimethyl-14-oxapentacyclo[10.3.3.15,8.01,11.02,8]nonadecan-13-one
InChI:
InChI=1S/C20H30O3/c1-17-7-3-8-20(12-23-16(17)21)14(17)6-9-19-10-13(4-5-15(19)20)18(2,22)11-19/h13-15,22H,3-12H2,1-2H3/t13-,14-,15-,17-,18-,19+,20+/m1/s1
InChI Key:
KLMZPLYXGZZBCX-CJSYXLNHSA-N
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
318.219g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.457g/mol
Monoisotopic Mass:
318.219g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Anti-AIDS agents, 4. Tripterifordin, a novel anti-HIV principle from Tripterygium wilfordii: isolation and structural elucidation. | Journal of natural products 19920101 |
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