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Substance Name: Triploside A
RN: 141544-45-8
InChIKey: RWYIWNDILZQARP-BTQNDNPRSA-N

Note

  • From Triplostegia grandiflora.

Molecular Formula

  • C67-H108-O31

Molecular Weight

  • 1409.5592
 
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Names and Synonyms

Name of Substance

  • Triploside A

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 141544-45-8

System Generated Number

  • 0141544458

Structure Descriptors

InChI

1S/C67H108O31/c1-26-38(72)43(77)48(82)58(90-26)92-34-25-89-59(93-37-13-14-64(7)35(63(37,5)6)12-15-66(9)36(64)11-10-28-29-20-62(3,4)16-18-67(29,61(83)84)19-17-65(28,66)8)52(50(34)95-55-45(79)40(74)31(69)22-86-55)98-60-53(97-57-47(81)42(76)33(71)24-88-57)51(96-56-46(80)41(75)32(70)23-87-56)49(27(2)91-60)94-54-44(78)39(73)30(68)21-85-54/h10,26-27,29-60,68-82H,11-25H2,1-9H3,(H,83,84)/t26-,27-,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+,58-,59-,60-,64-,65+,66+,67-/m0/s1

InChIKey

RWYIWNDILZQARP-BTQNDNPRSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CO[C@H]([C@@H]([C@H]2O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O[C@@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O[C@@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O[C@@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O[C@H]8CC[C@@]9([C@H]1CC=C2[C@H]3CC(CC[C@@]3(CC[C@]2([C@@]1(CCC9C8(C)C)C)C)C(=O)O)(C)C)C)O)O)O