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Substance Name: Sandoricin
RN: 133585-55-4
InChIKey: FPZCLGWPFTXULY-IXRXKZEESA-N

Note

  • From Sandoricum koetjape (Meliaceae); antifeedant.

Molecular Formula

  • C31-H40-O11

Molecular Weight

  • 588.646
 
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Names and Synonyms

Name of Substance

  • Sandoricin

Systematic Names

  • D-Homo-24-nor-17-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid, 3,12-bis(acetyloxy)-1,14:21,23-diepoxy-15-hydroxy-4,4-diemthyl-16-oxo-, methyl ester, (1alpha,3beta,5beta,12alpha,13alpha,14beta,15beta,17aalpha)-
  • D-Homo-24-nor-17-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid, 3,12-bis(acetyloxy)-1,14:21,23-diepoxy-15-hydroxy-4,4-dimethyl-16-oxo-, methyl ester, (1alpha,3beta,5beta,12alpha,13alpha,14beta,15beta,17aalpha)-

Registry Numbers

CAS Registry Number

  • 133585-55-4

System Generated Number

  • 0133585554

Structure Descriptors

InChI

1S/C31H40O11/c1-15-19-11-23(40-17(3)33)30(7)26(18-9-10-38-14-18)41-27(36)25(35)31(15,30)42-22-13-21(39-16(2)32)28(4,5)20(29(19,22)6)12-24(34)37-8/h9-10,14,19-23,25-26,35H,1,11-13H2,2-8H3/t19-,20-,21-,22-,23-,25+,26+,29+,30-,31+/m0/s1

InChIKey

FPZCLGWPFTXULY-IXRXKZEESA-N

Smiles

O1[C@@]23[C@@]([C@H](C[C@@H]([C@@]4([C@@H]1C[C@@H](C([C@@H]4CC(=O)OC)(C)C)OC(=O)C)C)C3=C)OC(=O)C)([C@H](OC([C@H]2O)=O)c1cocc1)C