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(Q105375048)
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English
(1R,3aR,4R,6aS)-1-(6-methoxy-2H-1,3-benzodioxol-5-yl)-4-[(6-methoxy-2H-1,3-benzodioxol-5-yl)oxy]-tetrahydro-1H-furo[3,4-c]furan-3a-yl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[6-(6-methoxy-1,3-benzodioxol-5-yl)-3-[(6-methoxy-1,3-benzodioxol-5-yl)oxy]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl] acetate
1 reference
based on heuristic
inferred from SMILES
mass
488.1318615879998
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
Phrymarolin I
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₄H₂₄O₁₁
0 references
canonical SMILES
O=C(OC12COC(C=3C=C4OCOC4=CC3OC)C2COC1OC=5C=C6OCOC6=CC5OC)C
0 references
isomeric SMILES
COc1cc2c(cc1O[C@H]1OC[C@H]3[C@H](c4cc5c(cc4OC)OCO5)OC[C@]31OC(C)=O)OCO2
0 references
Identifiers
InChI
InChI=1S/C24H24O11/c1-12(25)35-24-9-29-22(13-4-17-18(31-10-30-17)5-15(13)26-2)14(24)8-28-23(24)34-21-7-20-19(32-11-33-20)6-16(21)27-3/h4-7,14,22-23H,8-11H2,1-3H3/t14-,22-,23+,24-/m0/s1
0 references
InChIKey
ZGBQEJGNORPNKC-UQYBRFATSA-N
0 references
PubChem CID
12314204
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZGBQEJGNORPNKC-UQYBRFATSA-N
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