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1401419-87-1 | Kaura-9(11),16-dien-18-oic acid, 13-hydroxy-15-oxo-, (4α)-
CAS No: 1401419-87-1 Catalog No: AG001C2O MDL No:
Product Description
Catalog Number:
AG001C2O
Chemical Name:
Kaura-9(11),16-dien-18-oic acid, 13-hydroxy-15-oxo-, (4α)-
CAS Number:
1401419-87-1
IUPAC Name:
(1R,4S,5R,9R,13S)-13-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid
InChI:
InChI=1S/C20H26O4/c1-12-15(21)19-9-5-13-17(2,7-4-8-18(13,3)16(22)23)14(19)6-10-20(12,24)11-19/h6,13,24H,1,4-5,7-11H2,2-3H3,(H,22,23)/t13-,17+,18+,19+,20-/m0/s1
InChI Key:
MOEGAVNUGPZNDZ-OBHGLWADSA-N
Properties
Complexity:
706
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
330.183g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.424g/mol
Monoisotopic Mass:
330.183g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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