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Azuleno(6,5-b)furan-2,5-dione, 4-(acetyloxy)-3,3a,4,4a,7a,8,9,9a-octahydro-3,4a,8-trimethyl-, (3R-(3alpha,3aalpha,4beta,4abeta,7aalpha,8alpha,9abeta))-

HCID 73482
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Basic information

CAS
10092-04-3
Standard SMILES
CC(=O)O[C@@H]1[C@H]2[C@H](C[C@@H](C)C3C=CC(=O)[C@]31C)OC(=O)[C@@H]2C
InChIKey
NEIIKBWBBCJSQU-DGIONXRUSA-N
Molecular formula
C17H22O5
Average molar mass
306.4 g/mol
Monoisotopic mass
306.1467238

Names & identifiers

Preferred name
Azuleno(6,5-b)furan-2,5-dione, 4-(acetyloxy)-3,3a,4,4a,7a,8,9,9a-octahydro-3,4a,8-trimethyl-, (3R-(3alpha,3aalpha,4beta,4abeta,7aalpha,8alpha,9abeta))-
IUPAC
[(1R,3aS,5R,8aR,9R,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate

Names & synonyms

NSC 85247UNII-MPG8EK9VMNAmbros-2-en-12-oic acid, 6beta,8alpha-dihydroxy-4-oxo-, 12,8-lactone, acetate, (11R)-(3R)-4beta-Acetoxy-3,3aalpha,4,4a,7aalpha,8,9,9abeta-octahydro-3,4abeta,8alpha-trimethylazuleno[6,5-b]furan-2,5-dioneAzuleno[6,5-b]furan-2,5-dione, 4-(acetyloxy)-3,3a,4,4a,7a,8,9,9a-octahydro-3,4a,8-trimethyl-, (3R,3aR,4R,4aR,7aR,8R,9aS)-[(1R,3aS,5R,8aR,9R,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetateAzuleno(6,5-b)furan-2,5-dione, 4-(acetyloxy)-3,3a,4,4a,7a,8,9,9a-octahydro-3,4a,8-trimethyl-, (3R-(3alpha,3aalpha,4beta,4abeta,7aalpha,8alpha,9abeta))-

Database identifiers

CAS
10092-04-3
PubChem CID
73482
UNII
MPG8EK9VMN

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
69.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
22
Formal charge
0
Complexity
565

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