Cholesteryl Eicosapentaenoate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C47H74O2
Molecular Weight	671.0893
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	5
Charge	0

SHOW SMILES / InChI

Structure of Cholesteryl Eicosapentaenoate

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)[C@H](C)CCCC(C)C

InChI

InChIKey=XZFUGMCJZFRBKF-BDJFIEMMSA-N

InChI=1S/C47H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h8-9,11-12,14-15,17-18,20-21,28,37-38,40-44H,7,10,13,16,19,22-27,29-36H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C47H74O2
Molecular Weight	671.0893
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	5
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:31:26 GMT 2023` Edited by `admin` on `Sat Dec 16 15:31:26 GMT 2023`
Record UNII	22XP3DB54Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Cholesteryl Eicosapentaenoate

Common Name

English

Cholesteryl 5,8,11,14,17-eicosapentaenoate

Common Name

English

Cholest-5-en-3-ol (3β)-, (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoate

Common Name

English

[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

Systematic Name

English

Cholest-5-en-3-ol (3β)-, (all-Z)-5,8,11,14,17-eicosapentaenoate

Common Name

English

Cholest-5-en-3-ol (3β)-, 3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoate]

Common Name

English

Code System Code Type Description

FDA UNII

22XP3DB54Q

Created by admin on Sat Dec 16 15:31:26 GMT 2023 , Edited by admin on Sat Dec 16 15:31:26 GMT 2023

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PUBCHEM

10372299

Created by admin on Sat Dec 16 15:31:26 GMT 2023 , Edited by admin on Sat Dec 16 15:31:26 GMT 2023

PRIMARY

CAS

74892-97-0

Created by admin on Sat Dec 16 15:31:26 GMT 2023 , Edited by admin on Sat Dec 16 15:31:26 GMT 2023

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EPA CompTox

DTXSID901267959

Created by admin on Sat Dec 16 15:31:26 GMT 2023 , Edited by admin on Sat Dec 16 15:31:26 GMT 2023

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