12,13-epoxy-9(2),11-octadecadienoic acid
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12,13-epoxy-9(2),11-octadecadienoic acid
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CAS No:
114488-95-8
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Formula:
C18H30O3
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Chemical Name:
12,13-epoxy-9(2),11-octadecadienoic acid
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Synonyms:
12,13-EODA;12,13-epoxy-9(2),11-octadecadienoic acid;(13S)-12,13-epoxyoctadeca-9,11-dienoic acid;11-[(3S)-3-pentyloxiran-2-ylidene]undec-9-enoic acid;CHEBI:19135;(E,11Z)-11-[(3S)-3-pentyloxiran-2-ylidene]undec-9-enoic acid;9-Undecenoic acid, 11-(pentyloxiranylidene)-, (S-(E,Z))-
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CAS No:
Description
(13S)-12,13-epoxyoctadeca-9,11-dienoic acid is a C18, polyunsaturated, epoxy fatty acid having double bonds at positions 9 and 11, and a (13S)-12,13-epoxy group. It is a polyunsaturated fatty acid, an epoxy fatty acid and a long-chain fatty acid. It derives from an octadeca-9,11-dienoic acid.
Computed Properties
Molecular Weight:294.4
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:13
Exact Mass:294.21949481
Monoisotopic Mass:294.21949481
Topological Polar Surface Area:49.8
Heavy Atom Count:21
Complexity:344
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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12,13-epoxy-9(2),11-octadecadienoic acid
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