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Product Overview

Product Code

TRC-B208120

CAS Number

4952-68-5

Product Format

Neat

Molecular Formula

C34H46O4

Molecular Weight

518.73

Product Categories

TRC

Documentation

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Product Information

Chemical Data

Analyte Name

3-O-Benzoyl Diosgenine

CAS Number

4952-68-5

Molecular Formula

C34H46O4

Molecular Weight

518.73

Accurate Mass

518.3396

SMILES

C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)OC(=O)c7ccccc7

InChI

InChI=1S/C34H46O4/c1-21-12-17-34(36-20-21)22(2)30-29(38-34)19-28-26-11-10-24-18-25(37-31(35)23-8-6-5-7-9-23)13-15-32(24,3)27(26)14-16-33(28,30)4/h5-10,21-22,25-30H,11-20H2,1-4H3/t21-,22+,25-,26-,27+,28+,29+,30+,32+,33+,34-/m1/s1

IUPAC

[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl] benzoate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

Protected Diosgenine.

References: Liu, Y., et al.: Bioorg. Med. Chem. Lett., 17, 156 (2007),

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