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Substance Name: Dihydrograyanotoxin II
RN: 38776-76-0
InChIKey: IGKWESNBSFVVHE-NNTZHCKBSA-N

Note

  • Extract from leaves of Ericacae.

Molecular Formula

  • C20-H34-O5

Molecular Weight

  • 354.484
 
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Names and Synonyms

Name of Substance

  • Dihydrograyanotoxin II

Synonyms

  • alpha-Dihydrograyanotoxin II
  • NSC 323779

Systematic Name

  • (3beta,6beta,14R)-Grayanotoxane-3,5,6,14,16-pentol

Registry Numbers

CAS Registry Number

  • 38776-76-0

System Generated Number

  • 0038776760

Structure Descriptors

InChI

1S/C20H34O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h10-16,21-25H,5-9H2,1-4H3/t10-,11-,12-,13-,14-,15+,16+,18+,19-,20-/m0/s1

InChIKey

IGKWESNBSFVVHE-NNTZHCKBSA-N

Smiles

C1([C@]2(O)[C@@H](C[C@@H]1O)[C@H]([C@H]1[C@@]3([C@@H]([C@H](CC1)[C@@](C3)(O)C)O)C[C@H]2O)C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.51 (none)   EXP
Water Solubility 299 mg/L 25 EST
Vapor Pressure 6.61E-13 mm Hg 25 EST
Henry's Law Constant 3.96E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.54E-11 cm3/molecule-sec 25 EST

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