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Substance Name: Cardanolide, 3-((O-2,6-dideoxy-4-O-methyl-beta-D-ribo-hexopyranosyl-(1.4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1.4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-
RN: 53152-57-1
InChIKey: YYCFLOMQFNJHKQ-XZCJOYTFSA-N

Molecular Formula

  • C42-H68-O14

Molecular Weight

  • 812.0199
 
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Names and Synonyms

Synonym

  • EINECS 258-397-3

Systematic Name

  • Cardanolide, 3-((O-2,6-dideoxy-4-O-methyl-beta-D-ribo-hexopyranosyl-(1.4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1.4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-

Registry Numbers

CAS Registry Number

  • 53152-57-1

System Generated Number

  • 0053152571

Structure Descriptors

InChI

1S/C43H71O14/c1-21-39(50-6)30(44)16-37(52-21)56-41-23(3)54-38(18-32(41)46)57-40-22(2)53-36(17-31(40)45)55-27-11-12-42(4)26(14-27)8-7-24-19-43(5,34(48)15-28(24)42)29(9-10-33(43)47)25-13-35(49)51-20-25/h21-34,36-41,44-48H,7-20H2,1-6H3/t21-,22-,23-,24+,25+,26-,27+,28+,29-,30+,31+,32+,33-,34-,36?,37+,38+,39-,40-,41-,42+/m1/s1

InChIKey

YYCFLOMQFNJHKQ-XZCJOYTFSA-N

Smiles

C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](OC(C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H](C7(C6)([C@H](CC[C@H]7O)[C@H]8CC(=O)OC8)C)O)C)C)C)O)OC