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Reference substances

Reference substances

IUPAC name:
(1R)-1-[(4R,4aR,8aS)-2,6-bis(3,4-dimethylphenyl)tetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol

Inventory

EC number:
413-110-2
EC name:
-
CAS number:
-
Description:
GEL ALL DX; MILLAD 3988
CAS number:
135861-56-2
Synonyms
Names:
Identifier:
IUPAC name
1-[2,6-bis(3,4-dimethylphenyl)-hexahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
Identifier:
other: SMILES notation
CC1=C(C=CC(=C1)C2O[C@@H]3[C@H]([C@H](O2)[C@@H](CO)O)OC(OC3)C4=CC(=C(C=C4)C)C)C
(1R)-1-[(4R,4aR,8aS)-2,6-bis(3,4-dimethylphenyl)tetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol

Molecular and structural information

Molecular formula:
C24H30O6
Molecular weight:
414
SMILES notation:
CC1=CC=C(C=C1C)C1OCC2OC(OC(C(O)CO)C2O1)C1=CC=C(C)C(C)=C1
InChl:
nChI=1/C24H30O6/c1-13-5-7-17(9-15(13)3)23-27-12-20-22(30-23)21(19(26)11-25)29-24(28-20)18-8-6-14(2)16(4)10-18/h5-10,19-26H,11-12H2,1-4H3
Structural formula:
Chemical structure

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