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Substance Name: 6-Hydroxysandoricin
RN: 133585-56-5
InChIKey: NKHYHRMLCJNKHW-UHFFFAOYSA-N

Note

  • From Sandoricum koetjape; antifeedant.

Molecular Formula

  • C31-H40-O12

Molecular Weight

  • 604.645
 
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Names and Synonyms

Name of Substance

  • 6-Hydroxysandoricin

Systematic Name

  • 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-6,15-dihydroxy-4,4-dimethyl-16-oxo-, methyl ester, (1alpha,3beta,5beta,6R,12alpha,13alpha,14beta,15beta,17aalpha)-

Registry Numbers

CAS Registry Number

  • 133585-56-5

System Generated Number

  • 0133585565

Structure Descriptors

InChI

1S/C31H40O12/c1-14-18-11-21(41-16(3)33)30(7)25(17-9-10-39-13-17)42-27(37)24(35)31(14,30)43-20-12-19(40-15(2)32)28(4,5)23(29(18,20)6)22(34)26(36)38-8/h9-10,13,18-25,34-35H,1,11-12H2,2-8H3

InChIKey

NKHYHRMLCJNKHW-UHFFFAOYSA-N

Smiles

O(C(=O)C)[C@@H]1[C@@]2([C@@]3(O[C@@H]4[C@@]([C@@H](C3=C)C1)(C)[C@@H]([C@@H](O)C(=O)OC)C(C)(C)[C@@H](OC(=O)C)C4)[C@@H](C(O[C@@H]2c1ccoc1)=O)O)C