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Substance Name: Transsylvanoside B
RN: 159407-52-0
InChIKey: NGAGFMFFVYLRPZ-BTCOKJEUSA-N

Note

  • Isolated from the dried flowers of Cephalaria transsylvanica.

Molecular Weight

  • 1075.24
 
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Names and Synonyms

Name of Substance

  • Transsylvanoside B

Synonym

  • 3-O-(Glucopyranosyl-1-2-xylopyranosyl-1-4-rhamnopyranosyl-1-4-xylopyranosyl)-3,23-dihydroxy-delta(12)-oleanen-28-carboxylic acid

Systematic Name

  • Olean-12-en-28-oic acid, 3-((O-beta-D-glucopyranosyl-(1->2)-O-beta-D-xylopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-xylopyranosyl)oxy)-23-hydroxy-, (3beta,4alpha)-

Registry Numbers

CAS Registry Number

  • 159407-52-0

System Generated Number

  • 0159407520

Structure Descriptors

InChI

1S/C53H86O22/c1-23-41(74-46-42(36(61)33(58)27(20-55)71-46)75-45-39(64)35(60)32(57)26(19-54)70-45)37(62)40(65)44(69-23)72-28-21-68-43(38(63)34(28)59)73-31-11-12-49(4)29(50(31,5)22-56)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

NGAGFMFFVYLRPZ-BTCOKJEUSA-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)O)O[C@H]3[C@@H]([C@@H](O)[C@@H]([C@H](O3)CO)O)O)O)O)C)CC2)C)(CC[C@@]2(C(=O)O)CCC(C[C@@H]12)(C)C)C