Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Basellasaponin D
RN: 354552-06-0
InChIKey: XRPQKQDVGUZFQR-FHMBDKRWSA-N

Molecular Formula

  • C47-H68-O22

Molecular Weight

  • 985.0322
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Basellasaponin D

Synonym

  • Basellasaponin D

Systematic Name

  • Olean-12-ene-28,29-dioic acid, 3-((3,4-O-((1S,2R)-2-carboxy-1-(carboxymethoxy)-2-hydroxy-1,2-ethanediyl)-beta-D-glucopyranuronosyl)oxy)-, 28-beta-D-glucopyranosyl ester, (3beta,20alpha)-

Registry Numbers

CAS Registry Number

  • 354552-06-0

System Generated Number

  • 0354552060

Structure Descriptors

InChI

1S/C47H68O22/c1-41(2)23-9-12-45(6)24(43(23,4)11-10-25(41)65-36-30(54)31-32(33(66-36)34(55)56)69-47(62,38(59)60)40(67-31)63-19-26(49)50)8-7-20-21-17-42(3,37(57)58)13-15-46(21,16-14-44(20,45)5)39(61)68-35-29(53)28(52)27(51)22(18-48)64-35/h7,21-25,27-33,35-36,40,48,51-54,62H,8-19H2,1-6H3,(H,49,50)(H,55,56)(H,57,58)(H,59,60)/t21-,22+,23-,24+,25-,27+,28-,29+,30+,31+,32-,33-,35-,36+,40-,42+,43-,44+,45+,46-,47-/m0/s1

InChIKey

XRPQKQDVGUZFQR-FHMBDKRWSA-N

Smiles

CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2CC=C4[C@@H]5C[C@@](C)(CC[C@@]5(CC[C@@]34C)C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(=O)O)O[C@@H]7O[C@@H]([C@H]8O[C@](O)([C@@H](OCC(=O)O)O[C@@H]8[C@H]7O)C(=O)O)C(=O)O