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Reference substances

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IUPAC name:
[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,
5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,
5-trihydroxyoxan-2-yl]
8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,
6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate

Inventory

EC number:
252-076-1
EC name:
O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl (2α,3β,4α,6β)-2,3,6,23-tetrahydroxyurs-12-en-28-oate
CAS number:
34540-22-2
CAS number:
34540-22-2

Synonyms

Molecular and structural information

Molecular formula:
C48H78O20
Molecular weight:
ca. 975.12
SMILES notation:
CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)O)C)O)C)C2C1C)C)C(=O)OC6C
InChl:
1S/C48H78O20/c1-19-10-11-48(13-12-46(6)22(28(48)20(19)2)8-9-27-44(4)14-24(52)39(61)45(5,18-50)38(44)23(51)15-47(27,
46)7)43(62)68-42-35(59)32(56)30(54)26(66-42)17-63-40-36(60)33(57)37(25(16-49)65-40)67-41-34(58)31(55)29(53)21(3)64-41/h8,19-21,23-42,49-61H,9-18H2,1-7H3
Structural formula:
Chemical structure

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