[6-(4-Acetyloxy-5,9a-dimethyl-2,7-dioxo-4,5a,6,9-tetrahydro-3H-pyrano[3,4-b]oxepin-5-yl)-5-formyloxy-3-furan-3-yl-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl]3-methylbut

CAS

62653-92-3

Catalog Number

ACM62653923

Category

Other Products

Molecular Weight

658.689 g/mol

Molecular Formula

C₃₄H₄₂O₁₃

MSDS COA Spec Sheet

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Specification

Synonyms

Rohitukin, CID99982, NSC302040, 62653-92-3, A-Homo-24-nor-4-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid, 1-(acetyloxy)-21,23-epoxy-11-(formyloxy)-14-hydroxy-4a-(hydroxymethyl)-4a-methyl-12-(3-methyl-1-oxobutoxy)-3,15-dioxo-, delta-lactone, (1alpha,4abeta,5beta,11beta,12alpha,13alpha,14beta,17alpha)-

IUPAC Name

[6-(4-acetyloxy-5,9a-dimethyl-2,7-dioxo-4,5a,6,9-tetrahydro-3H-pyrano[3,4-b]oxepin-5-yl)-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] 3-methylbutanoate

Canonical SMILES

CC(C)CC(=O)OC1C(C(C(=C)C2(C1(C(CC2=O)C3=COC=C3)C)O)C4(C5CC(=O)OCC5(OC(=O)CC4OC(=O)C)C)C)OC=O

InChI Key

BGIQNWKPRGQOMD-UHFFFAOYSA-N

Boiling Point

771.5ºC at 760 mmHg

Flash Point

420.4ºC

Density

1.33g/cm³

Exact Mass

658.26300