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Substance Name: Saniculoside R 1
RN: 204331-80-6
InChIKey: ARQLEOCMMPMRQH-ULDGSTSNSA-N

Note

  • Isolated from Sanicula europaea leaves.

Molecular Formula

  • C52-H84-O22

Molecular Weight

  • 1061.2136
 
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Names and Synonyms

Results Name

  • Saniculoside R 1

Synonym

  • Saniculoside R-1

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3beta,15alpha,16alpha,21beta,22alpha)-15,16,22,28-tetrahydroxy-21-(2-methyl-1-oxobutoxy)olean-12-en-3-yl O-alpha-L-arabinopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-2))-

Registry Numbers

CAS Registry Number

  • 204331-80-6

System Generated Number

  • 0204331806

Structure Descriptors

InChI

1S/C52H84O22/c1-10-21(2)43(67)74-41-40(64)52(20-54)23(17-47(41,3)4)22-11-12-27-49(7)15-14-28(48(5,6)26(49)13-16-50(27,8)51(22,9)38(62)39(52)63)70-46-37(73-45-33(60)31(58)30(57)25(18-53)69-45)35(34(61)36(72-46)42(65)66)71-44-32(59)29(56)24(55)19-68-44/h11,21,23-41,44-46,53-64H,10,12-20H2,1-9H3,(H,65,66)/t21?,23-,24+,25+,26-,27+,28-,29+,30+,31-,32-,33+,34-,35-,36-,37+,38-,39+,40-,41-,44+,45-,46+,49-,50+,51-,52-/m0/s1

InChIKey

ARQLEOCMMPMRQH-ULDGSTSNSA-N

Smiles

CCC(C)C(=O)O[C@H]1[C@H](O)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@H]7OC[C@@H](O)[C@@H](O)[C@@H]7O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(=O)O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C