[(3aR,4R,5Z,7S,9S,10Z,11aR)-9-acetyloxy-7-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

Substructure search Find similar structures

Basic information

CAS: 33854-15-8
Standard SMILES: C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(C)=O)C[C@H](O)/C(C)=C\[C@@H](OC(=O)/C(C)=C\C)[C@H]12
InChIKey: LVPCBECJXWCROK-WBSXLFJVSA-N
Molecular formula: C22H28O7
Average molar mass: 404.5 g/mol
Monoisotopic mass: 404.18350323

Names & identifiers

Preferred name: [(3aR,4R,5Z,7S,9S,10Z,11aR)-9-acetyloxy-7-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
IUPAC: [(3aR,4R,5Z,7S,9S,10Z,11aR)-9-acetyloxy-7-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

Names & synonyms

NSC 135020[(3aR,4R,5Z,7S,9S,10Z,11aR)-9-acetoxy-7-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate2-Butenoic acid, 2-methyl-, (3aR,4R,5Z,7S,9S,10Z,11aR)-9-(acetyloxy)-2,3,3a,4,7,8,9,11a-octahydro-7-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2Z)-2-Butenoic acid, 2-methyl-, 9-(acetyloxy)-2,3,3a,4,7,8,9,11a-octahydro-7-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca(b)furan-4-yl ester, (3aR-(3aR*,4R*(Z),5Z,7S*,9S*,10Z,11aR*))-

Database identifiers

CAS: 33854-15-8
PubChem CID: 6436268

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 99.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 29
Formal charge: 0
Complexity: 802

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…