Breviscapin

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Catalog Number

ACM116122362

Product Name

Breviscapin

Structure

CAS

116122-36-2

Category

Heterocyclic Organic Compound

Synonyms

BREVISCAPIN

IUPAC Name

(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Molecular Weight

462.3612

Molecular Formula

C₂₁H₁₈O₁₂

Canonical SMILES

C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O

InChI Key

DJSISFGPUUYILV-ZFORQUDYSA-N

Boiling Point

891.6ºC at 760mmHg

Flash Point

314.9ºC

Density

1.81g/cm³

Exact Mass

908.16500

H-Bond Acceptor

H-Bond Donor

MSDS

COA

Spec Sheet

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