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Substance Name: Ledol
RN: 577-27-5
UNII: 99XJ3YS21U
InChIKey: AYXPYQRXGNDJFU-AQEIEYEASA-N

Note

  • From Renealmia chrysotrycha.

Molecular Formula

  • C15-H26-O

Molecular Weight

  • 222.3694
 
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Names and Synonyms

Name of Substance

  • Ledol

Synonyms

  • (+)-Ledol
  • UNII-99XJ3YS21U

Systematic Name

  • 1H-Cycloprop(e)azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, (1aR-(1aalpha,4alpha,4abeta,7alpha,7abeta,7balpha))-

Registry Numbers

CAS Registry Number

  • 577-27-5

FDA UNII

  • 99XJ3YS21U

System Generated Number

  • 0000577275

Structure Descriptors

InChI

InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13-,15-/m0/s1

InChIKey

AYXPYQRXGNDJFU-AQEIEYEASA-N

Smiles

C[C@H]1CC[C@@H]2[C@H]1[C@@H]3[C@H](CC[C@]2(C)O)C3(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 105 deg C   EXP
Boiling Point 292 deg C   EXP
log P (octanol-water) 4.630 (none)   EST
Atmospheric OH Rate Constant 2.02E-11 cm3/molecule-sec 25 EST

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