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Product Overview

Product Code

TRC-S686755

CAS Number

4651-48-3

Product Format

Neat

Molecular Formula

C31H50O2

Molecular Weight

454.73

Product Categories

TRC

Documentation

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Product Information

Chemical Data

Analyte Name

Stigmasterol 3-Acetate

CAS Number

4651-48-3

Molecular Formula

C31H50O2

Molecular Weight

454.73

Accurate Mass

454.3811

SMILES

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

InChI

InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1

IUPAC

[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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