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471-80-7

471-80-7 | (4R)-13-Hydroxykaur-16-en-18-oic acid

CAS No: 471-80-7 Catalog No: AG003BWT MDL No:MFCD00210558

Product Description

Catalog Number:
AG003BWT
Chemical Name:
(4R)-13-Hydroxykaur-16-en-18-oic acid
CAS Number:
471-80-7
Molecular Formula:
C20H30O3
Molecular Weight:
318.4504
MDL Number:
MFCD00210558
IUPAC Name:
(1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
InChI:
InChI=1S/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17+,18+,19+,20-/m0/s1
InChI Key:
QFVOYBUQQBFCRH-VQSWZGCSSA-N
SMILES:
OC(=O)[C@]1(C)CCC[C@]2([C@H]1CC[C@]13[C@@H]2CC[C@](C3)(C(=C)C1)O)C
UNII:
4741LYX6RT

Properties

Complexity:
583  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
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:
3.8  

Literature

Title Journal
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