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Substance Name: Colubrinoside (Colubrina arborescens)
RN: 59871-76-0
InChIKey: XZQXLJBNWHQGAB-OVVKAUKKSA-N

Molecular Formula

  • C50-H80-O20

Molecular Weight

  • 983.1472
 
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Names and Synonyms

Synonym

  • Colubrinoside

Systematic Name

  • Colubrinoside (Colubrina arborescens)

Registry Numbers

CAS Registry Number

  • 59871-76-0

System Generated Number

  • 0059871760

Structure Descriptors

InChI

1S/C50H78O19/c1-23(2)16-26-17-48(9,59)41-27-10-11-32-46(7)14-13-33(45(5,6)31(46)12-15-47(32,8)49(27)21-50(41,69-26)62-22-49)66-44-40(64-25(4)53)37(29(55)20-61-44)67-43-36(58)39(38(63-24(3)52)30(18-51)65-43)68-42-35(57)34(56)28(54)19-60-42/h16,26-44,51,54-59H,10-15,17-22H2,1-9H3/t26-,27+,28+,29-,30+,31-,32+,33-,34-,35+,36+,37-,38+,39+,40+,41-,42-,43-,44-,46-,47+,48-,49-,50-/m0/s1

InChIKey

XZQXLJBNWHQGAB-OVVKAUKKSA-N

Smiles

CC(=C[C@H]1C[C@]([C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@]36C[C@@]2(O1)OC6)C)(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)OC(=O)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O)OC(=O)C)C)(C)O)C