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Substance Name: Transsylvanoside A
RN: 155569-77-0
InChIKey: MQDPNHFRYVCDQE-WJBLRBLFSA-N

Note

  • A triterpene glycoside from Cephalaria transsylvanica.

Molecular Weight

  • 1075.24
 
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Names and Synonyms

Name of Substance

  • Transsylvanoside A

Synonym

  • 3-O-(beta-D-Glucopyranosyl(1-6)-beta-D-glucopyranosyl(1-4)-alpha-L-rhamnopyranosyl(1-4)-beta-D-xylopyranosyl)-3beta,23-dihydroxy delta(12)-oleanen-28-carboxylic acid

Systematic Name

  • Olean-12-en-28-oic acid, 3-((O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-beta-D-xylopyranosyl)oxy)-23-hydroxy-, (3beta,4alpha)-

Registry Numbers

CAS Registry Number

  • 155569-77-0

System Generated Number

  • 0155569770

Structure Descriptors

InChI

1S/C53H86O22/c1-23-42(75-46-40(64)36(60)33(57)27(73-46)20-68-43-39(63)35(59)32(56)26(19-54)71-43)37(61)41(65)45(70-23)72-28-21-69-44(38(62)34(28)58)74-31-11-12-49(4)29(50(31,5)22-55)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,47(66)67)17-15-51(24,52)6/h8,23,25-46,54-65H,9-22H2,1-7H3,(H,66,67)/t23-,25-,26+,27+,28+,29+,30+,31-,32+,33+,34-,35-,36-,37-,38+,39+,40+,41+,42-,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1

InChIKey

MQDPNHFRYVCDQE-WJBLRBLFSA-N

Smiles

C1=2[C@@]([C@@]3([C@@H]([C@@]4(CC[C@@H]([C@@]([C@@H]4CC3)(CO)C)O[C@H]3[C@@H]([C@@H](O)[C@@H](CO3)O[C@H]3[C@@H]([C@H](O)[C@H]([C@@H](O3)C)O[C@H]3[C@@H]([C@@H](O)[C@@H]([C@H](O3)CO[C@H]3[C@@H]([C@@H](O)[C@@H]([C@H](O3)CO)O)O)O)O)O)O)C)CC2)C)(CC[C@@]2(C(=O)O)CCC(C[C@@H]12)(C)C)C