.BETA.-SITOSTERYL PALMITOLEATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H78O2
Molecular Weight	651.0996
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of .BETA.-SITOSTERYL PALMITOLEATE

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)CCCCCCC\C=C/CCCCCC)[C@H](C)CC[C@@H](CC)C(C)C

InChI

InChIKey=CHMZRMNZCBYIEO-WTQKZKLLSA-N

InChI=1S/C45H78O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)35(5)23-24-36(9-2)34(3)4/h14-15,25,34-36,38-42H,8-13,16-24,26-33H2,1-7H3/b15-14-/t35-,36-,38+,39+,40-,41+,42+,44+,45-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C45H78O2
Molecular Weight	651.0996
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:11:08 GMT 2023` Edited by `admin` on `Sat Dec 16 12:11:08 GMT 2023`
Record UNII	GQU1KBY22Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-SITOSTERYL PALMITOLEATE

Common Name

English

STIGMAST-5-EN-3-OL, 3-(9Z)-9-HEXADECENOATE, (3.BETA.)-

Systematic Name

English

Code System Code Type Description

FDA UNII

GQU1KBY22Y

Created by admin on Sat Dec 16 12:11:08 GMT 2023 , Edited by admin on Sat Dec 16 12:11:08 GMT 2023

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CAS

127271-10-7

Created by admin on Sat Dec 16 12:11:08 GMT 2023 , Edited by admin on Sat Dec 16 12:11:08 GMT 2023

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PUBCHEM

122201188

Created by admin on Sat Dec 16 12:11:08 GMT 2023 , Edited by admin on Sat Dec 16 12:11:08 GMT 2023

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