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Substance Name: Triploside B
RN: 141544-44-7
InChIKey: XSZBTQGGMHECHM-HLSPWTJGSA-N

Note

  • From Triplostegia grandiflora.

Molecular Formula

  • C62-H100-O27

Molecular Weight

  • 1277.445
 
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Names and Synonyms

Name of Substance

  • Triploside B

Synonym

  • Oleanolic acid 3-O-beta-xylopyranosyl(1-3)-beta-D-xylopyranosyl(1-4)-alpha L-rhamnopyranosyl(1-3)-beta-D-xylopyranosyl(1-3)-alpha-L-rhamnopyranosyl(1-2)-alpha-L-arabinopyranoside

Systematic Name

  • Olean-12-en-28-oic acid, 3-((O-beta-D-xylopyranosyl-(1-3)-O-beta-D-xylopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-beta-D-xylopyranosyl-(1-3)-O-6-doexy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-, (3beta)-

Registry Numbers

CAS Registry Number

  • 141544-44-7

System Generated Number

  • 0141544447

Structure Descriptors

InChI

InChI=1S/C62H100O27/c1-25-36(66)41(71)45(75)53(82-25)84-32-24-81-54(85-35-13-14-59(7)33(58(35,5)6)12-15-61(9)34(59)11-10-27-28-20-57(3,4)16-18-62(28,56(76)77)19-17-60(27,61)8)48(46(32)86-50-42(72)38(68)29(63)21-78-50)89-55-49(88-52-44(74)40(70)31(65)23-80-52)47(37(67)26(2)83-55)87-51-43(73)39(69)30(64)22-79-51/h10,25-26,28-55,63-75H,11-24H2,1-9H3,(H,76,77)/t25-,26-,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-,59-,60+,61+,62-/m0/s1

InChIKey

XSZBTQGGMHECHM-HLSPWTJGSA-N

Smiles

C[C@@H]1O[C@@H](O[C@H]2CO[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)[C@@H]4CC=C6[C@H]7CC(C)(C)CC[C@@]7(CC[C@@]56C)C(=O)O)C3(C)C)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O[C@H]9OC[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@H]%10OC[C@@H](O)[C@H](O)[C@H]%10O)[C@H]2O[C@H]%11OC[C@@H](O)[C@H](O)[C@H]%11O)[C@H](O)[C@H](O)[C@H]1O