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126778-79-8 | Kaur-16-en-18-oic acid, 7-hydroxy-, (4β,7β)-
CAS No: 126778-79-8 Catalog No: AG000T7J MDL No:
Product Description
Catalog Number:
AG000T7J
Chemical Name:
Kaur-16-en-18-oic acid, 7-hydroxy-, (4β,7β)-
CAS Number:
126778-79-8
IUPAC Name:
(1R,2S,4S,5S,9S,10S,13R)-2-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
InChI:
InChI=1S/C20H30O3/c1-12-10-20-11-13(12)5-6-14(20)18(2)7-4-8-19(3,17(22)23)15(18)9-16(20)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18+,19+,20+/m1/s1
InChI Key:
KMLXVEXJZSTMBV-HNFSSWLOSA-N
Properties
Complexity:
569
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:
2
Isotope Atom Count:
0
Molecular Weight:
318.457g/mol
Monoisotopic Mass:
318.219g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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