.BETA.-SITOSTERYL PALMITATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H80O2
Molecular Weight	653.1155
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .BETA.-SITOSTERYL PALMITATE

Structure Search

SMILES

CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@@H](CC)C(C)C

InChI

InChIKey=IWTJDVBNIUPPPB-FPNUYMRSSA-N

InChI=1S/C45H80O2/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/h25,34-36,38-42H,8-24,26-33H2,1-7H3/t35-,36-,38+,39+,40-,41+,42+,44+,45-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C45H80O2
Molecular Weight	653.1155
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:00:34 GMT 2025` Edited by `admin` on `Tue Apr 01 17:00:34 GMT 2025`
Record UNII	LEB596GYDL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-SITOSTERYL PALMITATE

Common Name

English

.BETA.-ROSASTEROL PALMITATE

Preferred Name

English

SITOSTEROL PALMITATE

Common Name

English

STIGMAST-5-EN-3-OL, 3-HEXADECANOATE, (3.BETA.)-

Systematic Name

English

SITOSTERYL PALMITATE, (+)-

Common Name

English

STIGMAST-5-EN-3.BETA.-OL, PALMITATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

9852570

Created by admin on Tue Apr 01 17:00:34 GMT 2025 , Edited by admin on Tue Apr 01 17:00:34 GMT 2025

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FDA UNII

LEB596GYDL

Created by admin on Tue Apr 01 17:00:34 GMT 2025 , Edited by admin on Tue Apr 01 17:00:34 GMT 2025

PRIMARY

CAS

2308-85-2

Created by admin on Tue Apr 01 17:00:34 GMT 2025 , Edited by admin on Tue Apr 01 17:00:34 GMT 2025

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EPA CompTox

DTXSID601315058

Created by admin on Tue Apr 01 17:00:34 GMT 2025 , Edited by admin on Tue Apr 01 17:00:34 GMT 2025

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