Spiro[oxirane-2,6a(2)-[3aH,6H-5a,9b]propano[5H]furo[2,3-c][2]benzopyran]-12a(2)-ol, 2a(2)-(3-furanyl)hexahydro-10a(2)-methyl-, [2a(2)S-(2a(2)I+/-,3a(2)aI+/-,5a(2)aI+/-,6a(2)I(2),9a(2)aI+/-,9a(2)bI+/-,10a(2)S,12a(2)R)]-

Substructure search Find similar structures

Basic information

CAS: 126778-81-2
Standard SMILES: C[C@@H]1C[C@@H](O)[C@]23CO[C@H]4O[C@H](c5ccoc5)CC41[C@H]2CCC[C@]31CO1
InChIKey: AEGFVGLKCAEJPU-HOUGKUSZSA-N
Molecular formula: C20H26O5
Average molar mass: 346.4 g/mol
Monoisotopic mass: 346.17802393

Names & identifiers

Preferred name: Spiro[oxirane-2,6a(2)-[3aH,6H-5a,9b]propano[5H]furo[2,3-c][2]benzopyran]-12a(2)-ol, 2a(2)-(3-furanyl)hexahydro-10a(2)-methyl-, [2a(2)S-(2a(2)I+/-,3a(2)aI+/-,5a(2)aI+/-,6a(2)I(2),9a(2)aI+/-,9a(2)bI+/-,10a(2)S*,12a(2)R*)]-
IUPAC: (1R,4S,6S,9S,13R,14R,16R)-6-(furan-3-yl)-16-methylspiro[3,5-dioxatetracyclo[6.5.3.01,9.04,8]hexadecane-13,2'-oxirane]-14-ol

Names & synonyms

DTXSID001099515126778-81-2Spiro[oxirane-2,6a(2)-[3aH,6H-5a,9b]propano[5H]furo[2,3-c][2]benzopyran]-12a(2)-ol, 2a(2)-(3-furanyl)hexahydro-10a(2)-methyl-, [2a(2)S-(2a(2)I+/-,3a(2)aI+/-,5a(2)aI+/-,6a(2)I(2),9a(2)aI+/-,9a(2)bI+/-,10a(2)S*,12a(2)R*)]-

Database identifiers

CAS: 126778-81-2
PubChem CID: 165366255
DTXSID: DTXSID001099515

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 64.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 25
Formal charge: 0
Complexity: 582

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…