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Substance Name: Deutzicoside B
RN: 137551-42-9
InChIKey: KIGBZBGUCRFANQ-IEBUKCNUSA-N

Note

  • From Deutzia corymbosa.

Molecular Weight

  • 913.1004
 
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Names and Synonyms

Name of Substance

  • Deutzicoside B

Synonym

  • Echinocystic acid-3-O-(galactopyranosyl(1-4)-rhamnopyranosyl(1-4))-arabinopyranoside

Systematic Name

  • Olean-12-en-28-oic acid, 3-((O-beta-D-galactopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-alpha-L-arabinopyranosyl)oxy)-16-hydroxy-, (3beta,16alpha)-

Registry Numbers

CAS Registry Number

  • 137551-42-9

System Generated Number

  • 0137551429

Structure Descriptors

InChI

1S/C47H76O17/c1-21-30(51)32(53)34(55)38(60-21)64-37-36(63-39-35(56)33(54)31(52)25(19-48)61-39)24(49)20-59-40(37)62-29-12-13-44(6)26(43(29,4)5)11-14-45(7)27(44)10-9-22-23-17-42(2,3)15-16-47(23,41(57)58)28(50)18-46(22,45)8/h9,21,23-40,48-56H,10-20H2,1-8H3,(H,57,58)/t21-,23+,24-,25+,26?,27+,28+,29-,30-,31-,32+,33-,34+,35+,36-,37+,38-,39+,40-,44-,45+,46+,47+/m0/s1

InChIKey

KIGBZBGUCRFANQ-IEBUKCNUSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@@]4([C@H]5CC=C6[C@H]7CC(CC[C@@]7([C@@H](C[C@]6([C@@]5(CCC4C3(C)C)C)C)O)C(=O)O)(C)C)C)O)O[C@@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)O