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Substance Name: Gedunin
RN: 2753-30-2
InChIKey: YJXDGWUNRYLINJ-MQNPGKSISA-N

Note

  • Isolated from neem (Azadirachta indica).

Molecular Formula

  • C28-H34-O7

Molecular Weight

  • 482.57
 
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Names and Synonyms

Name of Substance

  • Gedunin

Synonyms

  • Gedunin
  • Gedunine
  • NSC 113497

Systematic Names

  • 16,17-Seco-24-nor-5alpha,13alpha,14beta,17alpha-chola-1,20,22-trien-16-oic acid, 14,15beta:21,23-diepoxy-7alpha,17-dihydroxy-4,4,8-trimethyl-3-oxo-, 16,17-lactone, acetate (8CI)
  • D-Homo-24-nor-17-oxachola-1,20,22-triene-3,16-dione, 7-(acetyloxy)-14,15:21,23-diepoxy-4,4,8-trimethyl-, (5alpha,7alpha,13alpha,14beta,15beta,17aalpha)- (9CI)
  • Oxireno(c)phenanthro(1,2-d)pyran-3,8(3aH,4bH)-dione, 5-(acetyloxy)-1-(3-furanyl)-1,5,6,6a,7,10a,10b,11,12,12a-decahydro-4b,7,7,10a,12a-pentamethyl-, (1S,3aS,4aR,4bS,5R,6aR,10aR,10bR,12aS)-

Registry Numbers

CAS Registry Number

  • 2753-30-2

System Generated Number

  • 0002753302

Structure Descriptors

InChI

1S/C28H34O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h8-10,12,14,17-18,20-22H,7,11,13H2,1-6H3/t17-,18+,20-,21?,22-,25-,26+,27+,28-/m1/s1

InChIKey

YJXDGWUNRYLINJ-MQNPGKSISA-N

Smiles

C=1C(C([C@@H]2C[C@H]([C@@]3([C@@H](CC[C@@]4([C@@]53[C@H](O5)C(=O)O[C@@H]4c3cocc3)C)[C@@]2(C1)C)C)OC(=O)C)(C)C)=O