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Substance Name: Thesin
RN: 528-37-0
InChIKey: XGRYDJSRYGHYOO-FJBHWWKGSA-N

Molecular Formula

  • C34-H42-N2-O6

Molecular Weight

  • 574.7138
 
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Names and Synonyms

Results Name

  • Thesin

Synonyms

  • Bis((hexahydro-1H-pyrrolizin-1-yl)methyl) 2,4-bis(4-hydroxyphenyl)-1,3-cyclobutanedicarboxylate (1alpha(1R*,7aR*),2alpha,3beta(1R*,7aR*),4beta)-(+)-
  • Thesin
  • Thesine

Systematic Name

  • 1,3-Cyclobutanedicarboxylic acid, 2,4-bis(4-hydroxyphenyl)-, bis((hexahydro-1H-pyrrolizin-1-yl)methyl) ester, (1alpha(1R*,7aR*),2alpha,3beta(1R*,7aR*),4beta)-(+)-

Registry Numbers

CAS Registry Number

  • 528-37-0

System Generated Number

  • 0000528370

Structure Descriptors

InChI

1S/C34H42N2O6/c37-25-9-5-21(6-10-25)29-31(33(39)41-19-23-13-17-35-15-1-3-27(23)35)30(22-7-11-26(38)12-8-22)32(29)34(40)42-20-24-14-18-36-16-2-4-28(24)36/h5-12,23-24,27-32,37-38H,1-4,13-20H2/t23-,24-,27+,28+,29-,30-,31-,32-/m0/s1

InChIKey

XGRYDJSRYGHYOO-FJBHWWKGSA-N

Smiles

c1c(ccc(c1)O)[C@H]2[C@@H]([C@@H]([C@H]2C(=O)OC[C@H]3[C@@H]4N(CC3)CCC4)c5ccc(cc5)O)C(=O)OC[C@H]6[C@@H]7N(CC6)CCC7