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Home > Other Heterocycles > 82337-14-2
82337-14-2 | (5Z)-7-[(1α,4α)-3β-[(1E,3S)-3-Hydroxy-1-octenyl]-7-oxabicyclo[2.2.1]heptane-2α-yl]-5-heptenoic acid
CAS No: 82337-14-2 Catalog No: AG00GJU7 MDL No:
Product Description
Catalog Number:
AG00GJU7
Chemical Name:
(5Z)-7-[(1α,4α)-3β-[(1E,3S)-3-Hydroxy-1-octenyl]-7-oxabicyclo[2.2.1]heptane-2α-yl]-5-heptenoic acid
CAS Number:
82337-14-2
IUPAC Name:
(Z)-7-[(1S,2R,3R,4R)-3-[(E,3S)-3-hydroxyoct-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
InChI:
InChI=1S/C21H34O4/c1-2-3-6-9-16(22)12-13-18-17(19-14-15-20(18)25-19)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19-,20+/m0/s1
InChI Key:
IWSCITFBDCQRGG-BWDSMMMSSA-N
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
2
Exact Mass:
350.246g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.499g/mol
Monoisotopic Mass:
350.246g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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