Product Code

TRC-C799030

CAS Number

81760-48-7

Product Format

Neat

Molecular Formula

C22 H30 O4

Molecular Weight

358.47

Product Categories

TRC, Vitamins

Product Type

Bioactive Small Molecule

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Cafestol Acetate

CAS Number

81760-48-7

Molecular Formula

C22 H30 O4

Molecular Weight

358.47

Accurate Mass

358.2144

SMILES

CC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4c5ccoc5CC[C@@]4(C)[C@@H]2CC[C@@H]1C3

InChI

InChI=1S/C22H30O4/c1-14(23)26-13-22(24)12-21-9-5-17-16-7-10-25-18(16)6-8-20(17,2)19(21)4-3-15(22)11-21/h7,10,15,17,19,24H,3-6,8-9,11-13H2,1-2H3/t15-,17-,19+,20-,21+,22+/m1/s1

IUPAC

(17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-yl)methyl acetate

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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