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Substance Name: Bullatacinone
RN: 123012-00-0
InChIKey: KGGVWMAPBXIMEM-WPNKHTOASA-N

Note

  • Isolated from bark of Annona bullata.

Molecular Formula

  • C37-H66-O7

Molecular Weight

  • 622.921
 
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Names and Synonyms

Name of Substance

  • Bullatacinone

Synonyms

  • 2,4-cis-Asimicinone
  • Asimicinone

Systematic Name

  • 2(3H)-Furanone, dihydro-5-(11-hydroxy-11-(octahydro-5'-(`1-hydroxyundecyl)(2,2'-bifuran)-5-yl)undecyl)-3-(2-oxopropyl)-, (2S-(2alpha(2'R*,5'R*(R*)),5beta(S*(5R*))))-

Registry Numbers

CAS Registry Number

  • 123012-00-0

System Generated Number

  • 0123012000

Structure Descriptors

InChI

1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29-,30-,31+,32-,33-,34?,35-,36-/m1/s1

InChIKey

KGGVWMAPBXIMEM-WPNKHTOASA-N

Smiles

O1[C@@H](C[C@H](C1=O)CC(C)=O)CCCCCCCCCC[C@H]([C@@H]1CC[C@@H](O1)[C@@H]1O[C@H](CC1)[C@H](CCCCCCCCCC)O)O