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Product Overview

Product Code

TRC-P123530

CAS Number

52691-91-5

Product Format

Neat

Molecular Formula

C31 H46 O3

Molecular Weight

466.7

API Family

Phytonadione

Product Categories

TRC, Impurity Reference Materials , API Reference Standards & Research Materials

Product Type

API

Documentation

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Product Information

Chemical Data

Analyte Name

Phytonadione trans Epoxy

CAS Number

52691-91-5

Molecular Formula

C31 H46 O3

Molecular Weight

466.7

Accurate Mass

466.3447

SMILES

CC(C)CCC[C@H](C)CCC[C@H](C)CCCC1(C)OC1CC2=C(C)C(=O)c3ccccc3C2=O

InChI

InChI=1S/C31H46O3/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-19-31(6)28(34-31)20-27-24(5)29(32)25-17-7-8-18-26(25)30(27)33/h7-8,17-18,21-23,28H,9-16,19-20H2,1-6H3/t22-,23-,28?,31?/m0/s1

IUPAC

2-methyl-3-[[3-methyl-3-[(4S,8S)-4,8,12-trimethyltridecyl]oxiran-2-yl]methyl]naphthalene-1,4-dione

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Phytonadione

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Chemical Data

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Phytonadione trans Epoxy (contains up to 20% cis isomer)

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