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Home> Encyclopedia > Hot Product Listed 6   > 6H-Benzofuro[3,2-c][1]benzopyran-3,6a(11aH)-diol,10-(3-hydroxy-3-methylbutyl)-8,9-dimethoxy-, (6aS,1...
15898-41-6 structure

6H-Benzofuro[3,2-c][1]benzopyran-3,6a(11aH)-diol,10-(3-hydroxy-3-methylbutyl)-8,9-dimethoxy-, (6aS,11aS)-

Iupac Name:sodium;3-methoxybenzenesulfinate
CAS No.:15898-41-6
Molecular Weight:194.18
Molecular Formula:C10H20O (isomer)
Names and Identifiers
Synonyms

6H-Benzofuro[3,2-c][1]benzopyran-3,6a(11aH)-diol,10-(3-hydroxy-3-methylbutyl)-8,9-dimethoxy-, (6aS-cis)- Sphenostylin D

Inchi
InChI=1S/C7H8O3S.Na/c1-10-6-3-2-4-7(5-6)11(8)9;/h2-5H,1H3,(H,8,9);/q;+1/p-1
InChkey
CAKRNZFEHKYKLV-UHFFFAOYSA-M
Canonical Smiles
COC1=CC(=CC=C1)S(=O)[O-].[Na+]
Properties
Flash Point
238.6 °C
Computational chemical data
  • Molecular Weight:194.18g/mol
  • Molecular Formula:C10H20O
  • Compound Is Canonicalized:True
  • Exact Mass:194.001
  • Monoisotopic Mass:194.001
  • Complexity:154
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:68.6A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADcYBgMCBAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgQAAAAACASA0AIyB4AABAKA ACBCAGBCCEAgIAAIiBgGCIgMJiKEMRqAMCAkwBEIqAeAQAAAAAAABAAAAAAAAAAIAAAAAAAAAAAA AA==
 
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