(4-Acetyloxy-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3ah-azuleno[6,5-b]furan-9-yl)acetate

Catalog Number

ACM7706458

Product Name

(4-Acetyloxy-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3ah-azuleno[6,5-b]furan-9-yl)acetate

Structure

CAS

7706-45-8

Category

Heterocyclic Organic Compound

Synonyms

Spathulin, NSC85250, CID98169, NSC 85250, 7706-45-8, Ambros-11(13)-en-12-oic acid, 2,4,6,8,9-pentahydroxy-, 12,8-lactone, 6,9-diacetate, 4,9-Bis(acetyloxy)decahydro-5,7-dihydroxy-4a,8-dimethyl-3-methyleneazuleno(6,5-b)furan-2(3H)-one (3aS-(3aalpha,4beta,4abeta,5alpha,7alpha,7aalpha,8alpha,9beta,9abeta))-, Azuleno(6,5-b)furan-2(3H)-one, 4,9-bis(acetyloxy)decahydro-5,7-dihydroxy-4a,8-dimethyl-3-methylene-, (3aS,4R,4aS,5R,7S,7aS,8S,9R,9aR)-, Azuleno(6,5-b)furan-2(3H)-one, 4,9-bis(acetyloxy)decahydro-5,7-dihydroxy-4a,8-dimethyl-3-methylene-, (3aS-(3aalpha,4beta,4abeta,5alpha,7alpha,7aalpha,8alpha,9beta,9abeta))-

IUPAC Name

(9-acetyloxy-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,7-b]furan-4-yl) acetate

Molecular Weight

382.405 g/mol

Molecular Formula

C₁₉H₂₆O₈

Canonical SMILES

CC1C2C(CC(C2(C(C3C(C1OC(=O)C)OC(=O)C3=C)OC(=O)C)C)O)O

InChI Key

DBJWOTDYVYVATC-UHFFFAOYSA-N

Boiling Point

539.2ºC at 760 mmHg

Flash Point

188.3ºC

Density

1.32g/cm³

Exact Mass

382.16300

H-Bond Acceptor

8

H-Bond Donor

2

MSDS

COA

Spec Sheet