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Substance Name: Coronopolin
RN: 2571-81-5
InChIKey: GEUJJEYGSRWXPC-DYDIJXKYSA-N

Note

  • Isolated from Ambrosia arborescens.

Classification Code

  • Mutation Data

Molecular Formula

  • C15-H20-O4

Molecular Weight

  • 264.319
 
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Names and Synonyms

Results Name

  • Coronopolin

Synonyms

  • Coronopilin
  • Coronopolin
  • NSC 85242

Systematic Names

  • 10-alpha-H-Ambros-11(13)-en-12-oic acid, 1,6-beta-dihydroxy-4-oxo-, gamma-lactone
  • Azuleno(4,5-b)furan-2,9-dione, decahydro-6a-hydroxy-6,9a-dimethyl-3-methylene-, (3aS-(3aalpha,6beta,6aalpha,9abeta,9balpha))- (9CI)

Registry Numbers

CAS Registry Number

  • 2571-81-5

System Generated Number

  • 0002571815

Structure Descriptors

InChI

1S/C15H20O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h8,10,12,18H,2,4-7H2,1,3H3/t8-,10-,12+,14-,15-/m0/s1

InChIKey

GEUJJEYGSRWXPC-DYDIJXKYSA-N

Smiles

C1([C@@]2([C@H]3[C@H](C(=C)C(O3)=O)CC[C@@H]([C@@]2(CC1)O)C)C)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.83 (none)   EXP
Water Solubility 1.25E+04 mg/L 25 EST
Vapor Pressure 1.01E-08 mm Hg 25 EST
Henry's Law Constant 2.95E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.15E-11 cm3/molecule-sec 25 EST

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