Ambrosiol

HCID 283192

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Basic information

CAS: 5090-67-5
Standard SMILES: C=C1C(=O)OC2C1CCC(C)C1CC(O)C(O)C12C
InChIKey: UOGCXTUFYJBFHD-UHFFFAOYSA-N
Molecular formula: C15H22O4
Average molar mass: 266.33 g/mol
Monoisotopic mass: 266.15180918

Names & identifiers

Preferred name: Ambrosiol
IUPAC: 8,9-dihydroxy-6,9a-dimethyl-3-methylidene-4,5,6,6a,7,8,9,9b-octahydro-3aH-azuleno[4,5-b]furan-2-one
English name: (3aS,6aβ,9bβ)-3a,4,5,6,6a,7,8,9,9a,9b-Decahydro-8β,9β-dihydroxy-6α,9aα-dimethyl-3-methyleneazuleno[4,5-b]furan-2(3H)-one
Molecular formula: C15H22O4
Molecular weight: 266.33

Names & synonyms

Ambrosiol5090-67-58,9-dihydroxy-6,9a-dimethyl-3-methylidenedecahydroazuleno[4,5-b]furan-2(3h)-oneNSC137551SCHEMBL29355617DTXSID10300548UOGCXTUFYJBFHD-UHFFFAOYSA-NNSC-13755110.alpha.H-Ambros-11(13)-en-12-oic acid, 3.alpha.,4.alpha.,6.beta.-trihydroxy-, .gamma.-lactoneAzuleno[4,5-b]furan-2(3H)-one, decahydro-8,9-dihydroxy-6,9a-dimethyl-3-methylene-, [3aS-(3a.alpha.,6.beta.,6a.alpha.,8.alpha.,9.alpha.,9a.beta.,9b.alpha.)]-10.alpha.H-Ambros-11(13)-en-12-oic acid,4.alpha.,6.beta.-trihydroxy-, .gamma.-lactone8,9-Dihydroxy-6,9a-dimethyl-3-methylenedecahydroazuleno[4,5-b]furan-2(3H)-one #

Show more names

(3aS,6aβ,9bβ)-3a,4,5,6,6a,7,8,9,9a,9b-Decahydro-8β,9β-dihydroxy-6α,9aα-dimethyl-3-methyleneazuleno[4Azuleno[4,5-b]furan-2(3H)-one, decahydro-8,9-dihydroxy-6,9a-dimethyl-3-methylene-, (3aS,6S,6aS,8R,9S,9aS,9bR)-(3aS,6aβ,9bβ)-3a,4,5,6,6a,7,8,9,9a,9b-Decahydro-8β,9β-dihydroxy-6α,9aα-dimethyl-3-methyleneazuleno[4,5-b]furan-2(3H)-one

Azuleno[4, decahydro-8,9-dihydroxy-6,9a-dimethyl-3-methylene-, [3aS-(3a.alpha.,6.beta.,6a.alpha.,8.alpha.,9.alpha.,9a.beta.,9b.alpha.)]-

Database identifiers

CAS: 5090-67-5
PubChem CID: 283192
DTXSID: DTXSID10300548

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 19
Formal charge: 0
Complexity: 432

Chemistry & industry

Suppliers1 total

河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]

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