Sclerotiorin

CAS

549-23-5

Catalog Number

ACM549235

Category

Other Products

Molecular Weight

390.86

Molecular Formula

C₂₁H₂₃ClO₅

MSDS COA Spec Sheet

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Specification

Synonyms

SCLEROTIORIN;(S-(R*,R*-(E,E)))-SCLEROTIORIN;(R)-7-Acetoxy-5-chloro-3-[(S,1E,3E)-3,5-dimethyl-1,3-heptadienyl]-7-methyl-6H-2-benzopyran-6,8(7H)-dione;7-(Acetyloxy)-5-chloro-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-6H-2-benzopyran-6,8(7H)-dione

Melting Point

206-207°C

What is the PubChem CID of Sclerotiorin?

The PubChem CID of Sclerotiorin is 6436015.

What is the molecular formula of Sclerotiorin?

The molecular formula of Sclerotiorin is C21H23ClO5.

What are the synonyms of Sclerotiorin?

The synonyms of Sclerotiorin include BA54VZ8Z50 and [(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisochromen-7-yl] acetate.

What is the molecular weight of Sclerotiorin?

The molecular weight of Sclerotiorin is 390.9 g/mol.

When was Sclerotiorin created?

Sclerotiorin was created on April 28, 2006.

When was Sclerotiorin last modified?

Sclerotiorin was last modified on December 30, 2023.

What is the IUPAC name of Sclerotiorin?

The IUPAC name of Sclerotiorin is [(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7-methyl-6,8-dioxoisochromen-7-yl] acetate.

What is the InChI of Sclerotiorin?

The InChI of Sclerotiorin is InChI=1S/C21H23ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-26-15)19(24)21(5,27-14(4)23)20(25)18(16)22/h7-12H,6H2,1-5H3/b8-7+,13-9+/t12-,21+/m0/s1.

What is the InChIKey of Sclerotiorin?

The InChIKey of Sclerotiorin is SWJLTKXURNHVHE-UPWXJBBJSA-N.

What is the Canonical SMILES of Sclerotiorin?

The Canonical SMILES of Sclerotiorin is CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(=O)C2=CO1)(C)OC(=O)C)Cl.