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123154-43-8 | 9,11,13,15-Octadecatetraynoic acid, 17-hydroxy-, (17S)-
CAS No: 123154-43-8 Catalog No: AG000K33 MDL No:
Product Description
Catalog Number:
AG000K33
Chemical Name:
9,11,13,15-Octadecatetraynoic acid, 17-hydroxy-, (17S)-
CAS Number:
123154-43-8
Molecular Formula:
C18H20O3
Molecular Weight:
284.3496
IUPAC Name:
(17S)-17-hydroxyoctadeca-9,11,13,15-tetraynoic acid
InChI:
InChI=1S/C18H20O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h17,19H,4,6,8,10,12,14,16H2,1H3,(H,20,21)/t17-/m0/s1
InChI Key:
MTWGWIOCIREVRF-KRWDZBQOSA-N
SMILES:
OC(=O)CCCCCCCC#CC#CC#CC#C[C@@H](O)C
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
284.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.355g/mol
Monoisotopic Mass:
284.141g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Total synthesis of (S)-(-)-(E)-15,16-dihydrominquartynoic acid: a highly potent anticancer agent. | The Journal of organic chemistry 20040514 |
| Total synthesis of (-)-minquartynoic acid: an anti-cancer, anti-HIV natural product. | Organic letters 20020725 |
| Cytotoxic polyacetylenes from the twigs of Ochanostachys amentacea. | Journal of natural products 20010201 |
| Absolute stereochemistry and anti-HIV activity of minquartynoic acid, a polyacetylene from Ochanostachys amentacea. | Natural product letters 20010101 |
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