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Substance Name: alpha-Peltatin
RN: 568-53-6
UNII: EHO76Y1JAO
InChIKey: JGGWNGRBXJWAOC-HKJPBSJPSA-N

Classification Code

  • Mutation Data

Molecular Formulas

  • C21-H18-O8
  • C21-H20-O8

Molecular Weight

  • 400.381
 
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Names and Synonyms

Name of Substance

  • alpha-Peltatin

Synonyms

  • alpha-Peltatin
  • alpha-Peltatin A
  • NCI 1074
  • NSC 24817
  • PELTATIN, ALPHA
  • UNII-EHO76Y1JAO

Systematic Name

  • Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 568-53-6

FDA UNII

  • EHO76Y1JAO

System Generated Number

  • 0000568536

Structure Descriptors

InChI

1S/C21H20O8/c1-25-13-4-9(5-14(26-2)19(13)23)16-11-6-15-20(29-8-28-15)18(22)12(11)3-10-7-27-21(24)17(10)16/h4-6,10,16-17,22-23H,3,7-8H2,1-2H3/t10-,16+,17-/m0/s1

InChIKey

JGGWNGRBXJWAOC-HKJPBSJPSA-N

Smiles

COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(c(c3C[C@@H]5[C@@H]2C(=O)OC5)O)OCO4

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 236 deg C   EXP
log P (octanol-water) 1.560 (none)   EST
Water Solubility 30 mg/L 20 EXP
Atmospheric OH Rate Constant 2.10E-10 cm3/molecule-sec 25 EST

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