9,12-OCTADECADIENOIC ACID (9Z,12Z)-, 30-(((1S,2R,3E,5R)-2,5-DIHYDROXY-1-(HYDROXYMETHYL)-3-HEPTADECEN-1-YL)AMINO)-30-OXOTRIACONTYL ESTER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C66H125NO6
Molecular Weight	1028.7018
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure of 9,12-OCTADECADIENOIC ACID (9Z,12Z)-, 30-(((1S,2R,3E,5R)-2,5-DIHYDROXY-1-(HYDROXYMETHYL)-3-HEPTADECEN-1-YL)AMINO)-30-OXOTRIACONTYL ESTER

Structure Search

SMILES

CCCCCCCCCCCC[C@@H](O)\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/C\C=C/CCCCC

InChI

InChIKey=ZGBFGAHZKZQSLG-UMCOJZBLSA-N

InChI=1S/C66H125NO6/c1-3-5-7-9-11-13-15-16-30-34-37-41-45-49-53-57-66(72)73-60-54-50-46-42-38-35-32-29-27-25-23-21-19-17-18-20-22-24-26-28-31-33-36-40-44-48-52-56-65(71)67-63(61-68)64(70)59-58-62(69)55-51-47-43-39-14-12-10-8-6-4-2/h11,13,16,30,58-59,62-64,68-70H,3-10,12,14-15,17-29,31-57,60-61H2,1-2H3,(H,67,71)/b13-11-,30-16-,59-58+/t62-,63+,64-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C66H125NO6
Molecular Weight	1028.7018
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:50:41 GMT 2023` Edited by `admin` on `Sat Dec 16 08:50:41 GMT 2023`
Record UNII	071N46VZ54
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

9,12-OCTADECADIENOIC ACID (9Z,12Z)-, 30-(((1S,2R,3E,5R)-2,5-DIHYDROXY-1-(HYDROXYMETHYL)-3-HEPTADECEN-1-YL)AMINO)-30-OXOTRIACONTYL ESTER

Common Name

English

Code System Code Type Description

PUBCHEM

11651004

Created by admin on Sat Dec 16 08:50:41 GMT 2023 , Edited by admin on Sat Dec 16 08:50:41 GMT 2023

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CAS

873802-44-9

Created by admin on Sat Dec 16 08:50:41 GMT 2023 , Edited by admin on Sat Dec 16 08:50:41 GMT 2023

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FDA UNII

071N46VZ54

Created by admin on Sat Dec 16 08:50:41 GMT 2023 , Edited by admin on Sat Dec 16 08:50:41 GMT 2023

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