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Substance Name: Grindelic acid
RN: 1438-57-9
UNII: 4QX9FCD1IN
InChIKey: XLWWERNKTLITEF-MVJPYGJCSA-N

Molecular Formula

  • C20-H32-O3

Molecular Weight

  • 320.47
 
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Names and Synonyms

Name of Substance

  • Grindelic acid

Synonyms

  • Grindelic acid
  • UNII-4QX9FCD1IN

Systematic Name

  • Labd-7-en-15-oic acid, 9,13-epoxy-

Registry Numbers

CAS Registry Number

  • 1438-57-9

FDA UNII

  • 4QX9FCD1IN

System Generated Number

  • 0001438579

Structure Descriptors

InChI

1S/C20H32O3/c1-14-7-8-15-17(2,3)9-6-10-19(15,5)20(14)12-11-18(4,23-20)13-16(21)22/h7,15H,6,8-13H2,1-5H3,(H,21,22)/t15-,18-,19-,20+/m0/s1

InChIKey

XLWWERNKTLITEF-MVJPYGJCSA-N

Smiles

C1[C@@](C)(CC(=O)O)O[C@@]2(C1)[C@@]1([C@H](C(CCC1)(C)C)CC=C2C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 100.5 deg C   EXP
log P (octanol-water) 6.310 (none)   EST
Atmospheric OH Rate Constant 1.05E-10 cm3/molecule-sec 25 EST

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