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Substance Name: Arctiopicrine
RN: 19889-01-1
InChIKey: VOOFFTMORIBISQ-KSLNBWLHSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C19-H26-O6

Molecular Weight

  • 350.4084
 
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Names and Synonyms

Results Name

  • Arctiopicrine

Synonyms

  • 4-18-00-01266 (Beilstein Handbook Reference)
  • Arctiopicrin
  • Arctiopicrine
  • Arctiopikrin
  • BRN 0042771
  • NSC-177853

Systematic Name

  • Germacra-1(10),4,11(13)-trien-12-oic acid, 6-alpha,8-alpha,15-trihydroxy-, 12,6-lactone, 8-(2-methylhydracrylate)-, (+)-

Registry Numbers

CAS Registry Number

  • 19889-01-1

System Generated Number

  • 0019889011

Structure Descriptors

InChI

1S/C19H26O6/c1-11-5-4-6-14(10-21)8-16-17(13(3)19(23)25-16)15(7-11)24-18(22)12(2)9-20/h5,8,12,15-17,20-21H,3-4,6-7,9-10H2,1-2H3/b11-5-,14-8+/t12?,15-,16+,17?/m0/s1

InChIKey

VOOFFTMORIBISQ-KSLNBWLHSA-N

Smiles

C/C/1=C/CC/C(=C\[C@@H]2C([C@H](C1)OC(=O)C(C)CO)C(=C)C(=O)O2)/CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 90mg/kg (90mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(2), Pg. 122, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.950 (none)   EST
Water Solubility 2000 mg/L 25 EXP
Atmospheric OH Rate Constant 2.13E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.