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Substance Name: Dehydrocrotonin
RN: 72548-29-9
InChIKey: PHTWCRQCDPNVLQ-FVHUFZOMSA-N

Note

  • A 19-nor-clerodane diterpene; isolated from the bark of Croton cajucara.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C19-H22-O4

Molecular Weight

  • 314.379
 
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Names and Synonyms

Name of Substance

  • Dehydrocrotonin

Synonym

  • Dehydrocrotonin

Systematic Name

  • Spiro(furan-3(2H),1'(7'H)-napthalene)-2,7'-dione, 2',3',4,4',4'a,5,8',8'a-octahydro-2',5'-dimethyl-5-(3-furanyl)-, (1'R-(1'-alpha(R*),2'-alpha,4'a-alpha,8'a-beta))-

Registry Numbers

CAS Registry Number

  • 72548-29-9

System Generated Number

  • 0072548299

Structure Descriptors

InChI

1S/C19H22O4/c1-11-7-14(20)8-16-15(11)4-3-12(2)19(16)9-17(23-18(19)21)13-5-6-22-10-13/h5-7,10,12,15-17H,3-4,8-9H2,1-2H3/t12-,15?,16+,17-,19-/m1/s1

InChIKey

PHTWCRQCDPNVLQ-FVHUFZOMSA-N

Smiles

c1occc1[C@H]1C[C@]2(C(O1)=O)[C@H]1CC(=O)C=C([C@@H]1CC[C@H]2C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 555mg/kg (555mg/kg)   Planta Medica. Vol. 62, Pg. 402, 1996.