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Substance Name: Saniculoside N
RN: 196955-52-9
InChIKey: VARHIPCGZLKSDN-DDQTVMBHSA-N

Note

  • From aerial parts of Sanicula europaea L.

Molecular Formula

  • C55-H88-O22

Molecular Weight

  • 1101.2782
 
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Names and Synonyms

Results Name

  • Saniculoside N

Synonym

  • Saniculoside N

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3beta,15alpha,16alpha,21beta,22alpha)-15,16,22,28-tetrahydroxy-21-(((2Z)-2-methyl-1-oxo-2-butenyl)oxy)olean-12-en-3-yl O-beta-D-arabinopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-3)-, propyl ester

Registry Numbers

CAS Registry Number

  • 196955-52-9

System Generated Number

  • 0196955529

Structure Descriptors

InChI

1S/C55H88O22/c1-11-19-70-46(69)40-36(63)39(75-48-35(62)33(60)38(28(21-56)72-48)74-47-34(61)32(59)27(58)22-71-47)37(64)49(76-40)73-31-16-17-52(8)29(51(31,6)7)15-18-53(9)30(52)14-13-25-26-20-50(4,5)44(77-45(68)24(3)12-2)43(67)55(26,23-57)42(66)41(65)54(25,53)10/h12-13,26-44,47-49,56-67H,11,14-23H2,1-10H3/b24-12+/t26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,37+,38+,39-,40-,41-,42+,43-,44-,47-,48-,49+,52-,53+,54-,55-/m0/s1

InChIKey

VARHIPCGZLKSDN-DDQTVMBHSA-N

Smiles

CCCOC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C5[C@@H]6CC(C)(C)[C@@H](OC(=O)\C(=C\C)\C)[C@H](O)[C@]6(CO)[C@H](O)[C@H](O)[C@@]45C)C2(C)C)[C@H](O)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@H]1O