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Product Overview

Product Code

TRC-A111600

CAS Number

1362-42-1

Product Format

Neat

Molecular Formula

C30H40O6

Molecular Weight

496.64

Product Categories

Additional phytochemical reference materials, TRC, Phytochemical Reference Materials and Research Tools, Natural Products

Product Type

Synthesis Tools

Documentation

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Product Information

Chemical Data

Analyte Name

Absinthin

CAS Number

1362-42-1

Molecular Formula

C30H40O6

Molecular Weight

496.64

Accurate Mass

496.2825

SMILES

C[C@H]1[C@@H]2CC[C@](C)(O)[C@@H]3[C@H]4[C@H]5C=C(C)[C@@]6([C@H]7OC(=O)[C@@H](C)[C@@H]7CC[C@](C)(O)[C@H]56)[C@H]4C(=C3[C@H]2OC1=O)C

InChI

InChI=1S/C30H40O6/c1-12-11-18-20-21(30(12)24(18)29(6,34)10-8-17-14(3)27(32)36-25(17)30)15(4)19-22(20)28(5,33)9-7-16-13(2)26(31)35-23(16)19/h11,13-14,16-18,20-25,33-34H,7-10H2,1-6H3/t13-,14-,16-,17-,18+,20-,21-,22-,23-,24-,25-,28-,29-,30+/m0/s1

IUPAC

(1R,2R,5S,8S,9S,12S,13R,14S,15S,16R,17S,20S,21S,24S)-12,17-dihydroxy-3,8,12,17,21,25-hexamethyl-6,23-dioxaheptacyclo[13.9.2.01,16.02,14.04,13.05,9.020,24]hexacosa-3,25-diene-7,22-dione

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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