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Reference substances

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General information

Inventory

EC number:
272-296-1
EC name:
α-d-Glucopyranosiduronic acid, (3β,20β)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-d-glucopyranuronosyl-, dipotassium salt
CAS number:
68797-35-3

No inventory information available

Reference substance information

IUPAC name:
α-d-Glucopyranosiduronic acid, (3β,20β)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-d-glucopyranuronosyl-, dipotassium salt
Synonyms
Names:
Identifier:
CAS number
68797-35-3
Identifier:
IUPAC name
a-D-Glucopyranosiduronic acid, (3ß,18ß,20ß)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-ß-d-glucopyranuronosyl-, dipotassium salt
Identifier:
IUPAC name
α-d-Glucopyranosiduronic acid, (3β,20β)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-dglucopyranuronosyl-,dipotassium salt potassium(2R,3S,4S,5R,6S)-6-(((3R,4aR,6aR,6bS,8aS,11S,12aS,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-5-(((2S,3R,4S,5S,6S)-6-carboxylato-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-carboxylate
Identifier:
other: Molecular formula
C42H60K2O16
Identifier:
other: Molecular formula
C42H60O16K2
Identifier:
other: InChl
InChI=1S/C42H62O16.2K/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);;/q;2*+1/p-2/t19-,21-,22+,23-,24-,25-,26-,27+,28-,29+,30+,31+,34+,35-,38+,39-,40-,41+,42+;;/m0../s1
Identifier:
other: SMILES notation
O=C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O[C@H]2[C@@H](O[C@H]3C(C)([C@@]4([H])[C@@](C)([C@]5([H])[C@](C)([C@]6(C([C@@]7([H])[C@@](C)(CC6)CC[C@@](C)(C7)C(O)=O)=CC5=O)C)CC4)CC3)C)O[C@H]([C@H]([C@@H]2O)O)C([O-])=O)O1)O)O)O)[O-].[K+].[K+]

CAS information

CAS number:
68797-35-3

Molecular and structural information

Molecular formula:
C42H62O16.2K
Molecular weight:
ca. 899.133
SMILES notation:
[K+].[K+].O=C([O-])C1OC(OC2C(OC(C(=O)[O-])C(O)C2O)OC3CCC4(C)C5C(=O)C=C6C7CC(C(=O)O)(C)CCC7(C)CCC6(C)C5(C)CCC4C3(C)C)C(O)C(O)C1O
InChl:
InChI=1S/C42H62O16.2K/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);;/q;2*+1/p-2/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;/m0../s1
Structural formula:
Chemical structure