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Substance Name: Saponarioside J
RN: 252736-88-2
InChIKey: FFFZMPXSVRTZOW-VMGAOXQOSA-N

Molecular Formula

  • C53-H82-O24

Molecular Weight

  • 1103.2068
 
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Names and Synonyms

Results Name

  • Saponarioside J

Synonyms

  • 3-O-beta-D-xylopyranosylolean-11,13(18)-diene-23,28-dioic acid 28-O-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranoside
  • Saponarioside J

Systematic Name

  • Oleana-11,13(18)-diene-23,28-dioic acid, 3-(beta-D-xylopyranosyloxy)-, 28-(O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-6))-beta-D-glucopyranosyl) ester, (3beta,4alpha)-

Registry Numbers

CAS Registry Number

  • 252736-88-2

System Generated Number

  • 0252736882

Structure Descriptors

InChI

1S/C53H82O24/c1-48(2)13-15-53(47(69)77-45-40(66)41(76-44-39(65)36(62)33(59)26(19-55)73-44)34(60)27(74-45)21-71-42-38(64)35(61)32(58)25(18-54)72-42)16-14-50(4)22(23(53)17-48)7-8-28-49(3)11-10-30(75-43-37(63)31(57)24(56)20-70-43)52(6,46(67)68)29(49)9-12-51(28,50)5/h7-8,24-45,54-66H,9-21H2,1-6H3,(H,67,68)/t24-,25-,26-,27-,28-,29-,30+,31+,32-,33-,34-,35+,36+,37-,38-,39-,40-,41+,42-,43+,44+,45+,49-,50-,51-,52+,53+/m1/s1

InChIKey

FFFZMPXSVRTZOW-VMGAOXQOSA-N

Smiles

CC1(C)CC[C@@]2(CC[C@]3(C)C(=C2C1)C=C[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@](C)([C@@H]5CC[C@@]34C)C(=O)O)C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]7O