(2S,2'S,3'S,5S)-5-(3-Furyl)-4a'-(hydroxymethyl)-2'-methyldecahydrodispiro(furan-3,1'-naphthalene-5',2''-oxirane)-2,3',4'-triyl triacetate

HCID 178299

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Basic information

CAS: 136176-63-1
Standard SMILES: CC(=O)OC1[C@@H](OC(C)=O)[C@@H](C)C2(C[C@@H](c3ccoc3)O[C@H]2OC(C)=O)C2CCCC3(CO3)C12CO
InChIKey: VOZXZVMHRJCAMH-UZSWBXJJSA-N
Molecular formula: C26H34O10
Average molar mass: 506.5 g/mol
Monoisotopic mass: 506.21519728

Names & identifiers

Preferred name: (2S,2'S,3'S,5S)-5-(3-Furyl)-4a'-(hydroxymethyl)-2'-methyldecahydrodispiro(furan-3,1'-naphthalene-5',2''-oxirane)-2,3',4'-triyl triacetate
IUPAC: (2''S,3''S,5''S,6'S,7'S)-5''-(Furan-3-yl)-8'a-(hydroxymethyl)-6'-methyloctahydrodispiro[oxirane-2,1'-naphthalene-5',3''-oxolane]-2'',7',8'-triyl triacetate

Names & synonyms

136176-63-1(2S,2'S,3'S,5S)-5-(3-Furyl)-4a'-(hydroxymethyl)-2'-methyldecahydrodispiro(furan-3,1'-naphthalene-5',2''-oxirane)-2,3',4'-triyl triacetateDTXSID00929282Dispiro(furan-3(2H),1'(5'H)-naphthalene-5',2''-oxirane)-2,3',4'-triol, 5-(3-furanyl)decahydro-4'a-(hydroxymethyl)-2'-methyl-, 2,3',4'-triacetate, (1'S-(1'alpha(2R*,5R*),2'alpha,3'alpha,4'alpha,4'aalpha,5'alpha,8'abeta))-(2''S,5''S,6'S,7'S)-5''-(Furan-3-yl)-8'a-(hydroxymethyl)-6'-methyloctahydrodispiro[oxirane-2,1'-naphthalene-5',3''-oxolane]-2'',7',8'-triyl triacetate5''-(Furan-3-yl)-8'a-(hydroxymethyl)-6'-methyloctahydrodispiro[oxirane-2,1'-naphthalene-5',3''-oxolane]-2'',7',8'-triyl triacetate

Database identifiers

CAS: 136176-63-1
PubChem CID: 178299
DTXSID: DTXSID00929282

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 134 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 10
Rotatable bonds: 8
Heavy atoms: 36
Formal charge: 0
Complexity: 907

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