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Substance Name: Vernolepin
RN: 18542-37-5
UNII: 6640X1BVDX
InChIKey: IFYQXAXVZGMFNW-MVIRXUPPSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C15-H16-O5

Molecular Weight

  • 276.2864
 
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Names and Synonyms

Name of Substance

  • Vernolepin

Synonyms

  • (+)-Vernolepin
  • UNII-6640X1BVDX
  • Vernolepin

Systematic Names

  • 2H-Furo(2,3-f)(2)benzopyran-2,8(3H)-dione, 3a-beta,4,5,5a,6,9,9a-beta,9b-alpha-octahydro-3,9-dimethylene-4-beta-hydroxy-5a-beta-vinyl-, (+)-
  • 2H-Furo(2,3-f)(2)benzopyran-2,8(3H)-dione, 5a-ethenyloctahydro-4-hydroxy-3,9-bis(methylene)-, (3aR,4S,5aR,9aR,9bR)-

Registry Numbers

CAS Registry Number

  • 18542-37-5

FDA UNII

  • 6640X1BVDX

Other Registry Number

  • 21887-20-7

System Generated Number

  • 0018542375

Structure Descriptors

InChI

1S/C15H16O5/c1-4-15-5-9(16)10-7(2)14(18)20-12(10)11(15)8(3)13(17)19-6-15/h4,9-12,16H,1-3,5-6H2/t9-,10+,11+,12-,15+/m0/s1

InChIKey

IFYQXAXVZGMFNW-MVIRXUPPSA-N

Smiles

C=C[C@]12C[C@@H]([C@@H]3[C@@H]([C@H]1C(=C)C(=O)OC2)OC(=O)C3=C)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.31 (none)   EXP
Water Solubility 2.96E+04 mg/L 25 EST
Vapor Pressure 3.12E-10 mm Hg 25 EST
Henry's Law Constant 3.64E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.38E-11 cm3/molecule-sec 25 EST

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