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Substance Name: Esculentoside L
RN: 130364-33-9
InChIKey: UVWCAIWHFSJANE-HKNRWETISA-N

Note

  • Bidesmosidic saponin from Phytolacca esculenta.

Molecular Formula

  • C48-H76-O20

Molecular Weight

  • 973.108
 
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Names and Synonyms

Name of Substance

  • Esculentoside L

Synonym

  • 3-O-(beta-Glucopyranosyl-(1-4)-beta-xylopyranosyl)-28-O-beta-glucopyranosylphytolaccagenic acid

Systematic Name

  • Olean-12-ene-28,29-dioic acid, 3-((4-O-beta-D-glucopyranosyl-beta-D-xylopyranosyl)oxy)-23-hydroxy-, 28-beta-D-glucopyranosyl 29-methyl ester, (3beta,4alpha,20beta)-

Registry Numbers

CAS Registry Number

  • 130364-33-9

System Generated Number

  • 0130364339

Structure Descriptors

InChI

1S/C48H76O20/c1-43(41(60)62-6)13-15-48(42(61)68-40-37(59)34(56)31(53)25(19-50)65-40)16-14-46(4)22(23(48)17-43)7-8-28-44(2)11-10-29(45(3,21-51)27(44)9-12-47(28,46)5)67-38-35(57)32(54)26(20-63-38)66-39-36(58)33(55)30(52)24(18-49)64-39/h7,23-40,49-59H,8-21H2,1-6H3/t23-,24-,25-,26-,27?,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,43-,44+,45+,46-,47-,48+/m1/s1

InChIKey

UVWCAIWHFSJANE-HKNRWETISA-N

Smiles

C1[C@@H]([C@](CO)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@H](O6)CO)CC[C@@](C)(C(=O)OC)C[C@H]5C4=CC[C@H]3[C@@]2(C1)C)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)CO1