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Substance Name: Nipponoside D
RN: 223260-27-3
InChIKey: IFYHLPBBPBCPBM-ZMSDOOJMSA-N

Molecular Formula

  • C48-H78-O19

Molecular Weight

  • 957.1094
 
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Names and Synonyms

Results Name

  • Nipponoside D

Synonym

  • Nipponoside D

Systematic Name

  • 23,29-Dihydroxyoleanolic acid 28-O-alpha-L-rhamnopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester

Registry Numbers

CAS Registry Number

  • 223260-27-3

System Generated Number

  • 0223260273

Structure Descriptors

InChI

1S/C48H76O19/c1-22-30(53)32(55)35(58)40(63-22)66-38-25(18-49)64-39(37(60)34(38)57)62-19-26-31(54)33(56)36(59)41(65-26)67-42(61)48-15-13-43(2,20-50)17-24(48)23-7-8-28-44(3)11-10-29(52)45(4,21-51)27(44)9-12-47(28,6)46(23,5)14-16-48/h7,21-22,24-41,49-50,52-60H,8-20H2,1-6H3/t22-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41?,43+,44-,45-,46+,47+,48-/m0/s1

InChIKey

IFYHLPBBPBCPBM-ZMSDOOJMSA-N

Smiles

C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3OC(OC(=O)[C@]45CC[C@@](C)(CO)C[C@H]4C6=CC[C@@H]7[C@@]8(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]8CC[C@@]7(C)[C@]6(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O