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Substance Name: Triploside C
RN: 141544-42-5
InChIKey: XAFDYNYZRDQZAF-KVACYZFBSA-N

Note

  • From Triplostegia grandiflora.

Molecular Weight

  • 1013.22
 
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Names and Synonyms

Name of Substance

  • Triploside C

Synonym

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

Registry Numbers

CAS Registry Number

  • 141544-42-5

System Generated Number

  • 0141544425

Structure Descriptors

InChI

1S/C52H84O19/c1-23-32(54)35(57)38(60)43(66-23)68-28-22-65-45(41(71-44-39(61)36(58)33(55)24(2)67-44)40(28)70-42-37(59)34(56)27(53)21-64-42)69-31-13-14-49(7)29(48(31,5)6)12-15-51(9)30(49)11-10-25-26-20-47(3,4)16-18-52(26,46(62)63)19-17-50(25,51)8/h10,23-24,26-45,53-61H,11-22H2,1-9H3,(H,62,63)/t23-,24-,26+,27+,28-,29?,30+,31-,32-,33-,34-,35+,36+,37+,38+,39+,40-,41+,42+,43-,44-,45-,49-,50+,51+,52-/m0/s1

InChIKey

XAFDYNYZRDQZAF-KVACYZFBSA-N

Smiles

C1[C@@H](C(C)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)CCC(C)(C)C[C@H]5C4=CC[C@H]3[C@@]2(C1)C)O[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@@H](O2)C)[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O)CO2)[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@@H](O2)C)CO1