Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Castanopsinin A
RN: 116787-79-2
InChIKey: ZCQHSNFIEVLUDZ-GMTLRCDKSA-N

Molecular Formula

  • C50-H64-O19

Molecular Weight

  • 969.037
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Castanopsinin A

Synonyms

  • (2alpha,3beta(R),4alpha)-beta-D-Glucopyranosyl 3,23-((4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-diyl)bis(carbonyloxy))-2,24-dihydroxyolean-12-en-28-oate
  • beta-D-Glucopyranosyl 3,23-((4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-diyl)bis(carbonyloxy))-2,24-dihydroxyolean-12-en-28-oate (2alpha,3beta(R),4alpha)-
  • Castanopsinin A

Systematic Name

  • Olean-12-en-28-oic acid, 3,23-((4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-diyl)bis(carbonyloxy))-2,24-dihydroxy-, beta-D-glucopyranosyl ester, (2alpha,3beta(R),4alpha)-

Registry Numbers

CAS Registry Number

  • 116787-79-2

System Generated Number

  • 0116787792

Structure Descriptors

InChI

1S/C50H64O19/c1-45(2)10-12-49(44(65)69-43-39(62)38(61)35(58)28(18-51)67-43)13-11-47(4)23(24(49)16-45)6-7-29-46(3)17-27(55)40-50(19-52,30(46)8-9-48(29,47)5)20-66-41(63)21-14-25(53)33(56)36(59)31(21)32-22(42(64)68-40)15-26(54)34(57)37(32)60/h6,14-15,24,27-30,35,38-40,43,51-62H,7-13,16-20H2,1-5H3/t24-,27-,28-,29-,30?,35-,38+,39-,40-,43+,46-,47-,48-,49+,50-/m1/s1

InChIKey

ZCQHSNFIEVLUDZ-GMTLRCDKSA-N

Smiles

C1[C@H]([C@@H]2[C@@](COC(=O)c3c(c(c(c(c3)O)O)O)c3c(cc(c(c3O)O)O)C(=O)O2)(CO)[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)CCC(C)(C)C[C@H]5C4=CC[C@H]3[C@@]12C)O