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Substance Name: Saponarioside M
RN: 252737-18-1
InChIKey: DSOVPWHTAYTWNB-QCXFXHAHSA-N

Molecular Formula

  • C53-H84-O24

Molecular Weight

  • 1105.2226
 
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Names and Synonyms

Results Name

  • Saponarioside M

Synonyms

  • 3-O-beta-D-glucopyrano-sylgypsogenic acid 28-O-beta-D-glucopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranoside
  • Saponarioside M

Systematic Name

  • Olean-12-ene-23,28-dioic acid, 3-(beta-D-xylopyranosyloxy)-, 28-(O-beta-D-glucopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl) ester, (3beta,4alpha)-

Registry Numbers

CAS Registry Number

  • 252737-18-1

System Generated Number

  • 0252737181

Structure Descriptors

InChI

1S/C53H84O24/c1-48(2)13-15-53(47(69)77-44-40(66)36(62)34(60)27(74-44)21-71-45-41(37(63)33(59)26(19-55)73-45)76-43-39(65)35(61)32(58)25(18-54)72-43)16-14-50(4)22(23(53)17-48)7-8-28-49(3)11-10-30(75-42-38(64)31(57)24(56)20-70-42)52(6,46(67)68)29(49)9-12-51(28,50)5/h7,23-45,54-66H,8-21H2,1-6H3,(H,67,68)/t23-,24+,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-/m0/s1

InChIKey

DSOVPWHTAYTWNB-QCXFXHAHSA-N

Smiles

CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[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@@H]2C1)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]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](O)[C@H](O)[C@H]7O