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Substance Name: 28-Deoxonimbolide
RN: 126005-94-5
InChIKey: CWGBIWRWBCYASK-DVTNSOTCSA-N

Note

  • From Azadirachta indica.

Molecular Formula

  • C27-H32-O6

Molecular Weight

  • 452.544
 
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Names and Synonyms

Name of Substance

  • 28-Deoxonimbolide

Systematic Name

  • 2H,5H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 8-(3-furanyl)-2a,5a,6,6a,8,9,9a,10a,10b,10c-decahydro-2a,5a,6a,7-tetramethyl-5-oxo-, methyl ester, (2aR-(2aalpha,5aalpha,6alpha,6aalpha,8beta,9abeta,10alpha,10balpha,10cbeta))-

Registry Numbers

CAS Registry Number

  • 126005-94-5

System Generated Number

  • 0126005945

Structure Descriptors

InChI

1S/C27H32O6/c1-14-16(15-7-9-31-12-15)10-17-21(14)27(4)18(11-20(29)30-5)26(3)19(28)6-8-25(2)13-32-22(23(25)26)24(27)33-17/h6-9,12,16-18,22-24H,10-11,13H2,1-5H3/t16?,17-,18-,22-,23+,24-,25+,26+,27-/m1/s1

InChIKey

CWGBIWRWBCYASK-DVTNSOTCSA-N

Smiles

C1O[C@H]2[C@H]3O[C@H]4C(=C([C@H](C4)[c@@]4cocc4)C)[C@@]3([C@@H]([C@@]3([C@H]2[C@@]1(C=CC3=O)C)C)CC(OC)=O)C