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Substance Name: 3-Ketoaphidicolin
RN: 82026-06-0
InChIKey: PCKFULMONJBMIR-CXICKFFISA-N

Note

  • A metabolite of aphidicolin.

Molecular Formula

  • C20-H32-O4

Molecular Weight

  • 336.4688
 
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Names and Synonyms

Name of Substance

  • 3-Ketoaphidicolin

Systematic Name

  • 8,11a-Methano-11aH-cyclohepta(a)naphthalene-3(2H)-one, dodecahydro-9-hydroxy-4,9-bis(hydroxymethyl)-4,11b-dimethyl-, (4R-(4alpha,4aalpha,6abeta,8beta,9beta,11abeta,1bbeta))-

Registry Numbers

CAS Registry Number

  • 82026-06-0

System Generated Number

  • 0082026060

Structure Descriptors

InChI

1S/C20H32O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-15,21-22,24H,3-12H2,1-2H3/t13-,14+,15+,17-,18+,19-,20-/m0/s1

InChIKey

PCKFULMONJBMIR-CXICKFFISA-N

Smiles

C[C@]1(CO)[C@H]2CC[C@H]3C[C@@H]4C[C@]3(CC[C@]4(O)CO)[C@]2(C)CCC1=O