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Substance Name: Bretschnoside B
RN: 149496-97-9
InChIKey: UXRXRMJUZZGJNA-CXVHELQKSA-N

Note

  • Isolated from roots of Pterocephalus bretschneidri.

Molecular Formula

  • C64-H104-O30

Molecular Weight

  • 1353.4956
 
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Names and Synonyms

Name of Substance

  • Bretschnoside B

Synonym

  • 3-O-Glucopyranosyl(1-3)-xylopyranosyl(1-3)-rhamnopyranosyl(1-2)-xylopyranosyl oleanolic acid 28-glucopyranosyl(1-6)-glucopyranoside 6

Systematic Name

  • Olean-12-en-28-oic acid, 3-((O-alpha-D-glucopyranosyl-(1-3)-O-beta-D-xylopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-beta-D-xylopyranosyl)oxy)-, 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, (3beta)-

Registry Numbers

CAS Registry Number

  • 149496-97-9

System Generated Number

  • 0149496979

Structure Descriptors

InChI

1S/C64H104O30/c1-25-36(68)41(73)47(79)54(86-25)93-51-50(92-53-45(77)37(69)28(67)22-83-53)32(90-55-48(80)43(75)39(71)30(21-66)88-55)24-85-57(51)91-35-12-13-61(6)33(60(35,4)5)11-14-63(8)34(61)10-9-26-27-19-59(2,3)15-17-64(27,18-16-62(26,63)7)58(82)94-56-49(81)44(76)40(72)31(89-56)23-84-52-46(78)42(74)38(70)29(20-65)87-52/h9,25,27-57,65-81H,10-24H2,1-8H3/t25-,27+,28+,29+,30+,31+,32+,33?,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45+,46+,47+,48+,49+,50-,51+,52+,53+,54-,55-,56-,57+,61-,62+,63+,64-/m0/s1

InChIKey

UXRXRMJUZZGJNA-CXVHELQKSA-N