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Product Overview

Product Code

TRC-S497065

CAS Number

4952-28-7

Product Format

Neat

Molecular Formula

C39H58O4

Molecular Weight

590.88

Product Categories

Lipids, TRC

Documentation

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Product Information

Chemical Data

Analyte Name

beta-Sitosteryl Ferulate

CAS Number

4952-28-7

Molecular Formula

C39H58O4

Molecular Weight

590.88

Accurate Mass

590.4335

SMILES

O=C(/C=C/C1=CC(OC)=C(O)C=C1)O[C@@H]2CC3=CC[C@]4([H])[C@@](CC[C@@]5(C)[C@@]4([H])CC[C@]5([H])[C@H](C)CC[C@@H](CC)C(C)C)([H])[C@]3(CC2)C

InChI

InChI=1S/C39H58O4/c1-8-28(25(2)3)12-9-26(4)32-15-16-33-31-14-13-29-24-30(19-21-38(29,5)34(31)20-22-39(32,33)6)43-37(41)18-11-27-10-17-35(40)36(23-27)42-7/h10-11,13,17-18,23,25-26,28,30-34,40H,8-9,12,14-16,19-22,24H2,1-7H3/t26-,28-,30+,31+,32-,33+,34+,38+,39-/m1/s1

IUPAC

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

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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