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Substance Name: Elephantopin
RN: 13017-11-3
InChIKey: WIQOUTANBFOBPB-PLJDJVMKSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C19-H20-O7

Molecular Weight

  • 360.36
 
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Names and Synonyms

Name of Substance

  • Elephantopin

Synonyms

  • Elephantoin
  • NSC 100046
  • NSC 292206

Systematic Name

  • Germacra-1(10),11(13)-diene-12,14-dioic acid, 4,5-alpha-epoxy-2-beta,6-alpha,8-alpha-trihydroxy-, 12,6:14,2-dilactone, methacrylate

Registry Numbers

CAS Registry Number

  • 13017-11-3

System Generated Number

  • 0013017113

Structure Descriptors

InChI

1S/C19H20O7/c1-8(2)16(20)24-12-6-10-5-11(23-18(10)22)7-19(4)15(26-19)14-13(12)9(3)17(21)25-14/h5,11-15H,1,3,6-7H2,2,4H3/t11-,12-,13+,14-,15-,19+/m0/s1

InChIKey

WIQOUTANBFOBPB-PLJDJVMKSA-N

Smiles

CC(=C)C(=O)O[C@H]1CC2=C[C@@H](C[C@@]3(C)O[C@H]3[C@H]4OC(=O)C(=C)[C@H]14)OC2=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.69 (none)   EXP
Water Solubility 1380 mg/L 25 EST
Vapor Pressure 5.93E-10 mm Hg 25 EST
Henry's Law Constant 3.82E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.66E-11 cm3/molecule-sec 25 EST

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