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Home> Encyclopedia > Hot Product Listed 5   > 5bH-[1,3]Dioxino[5'',4'':2',3']oxireno[4',4'a][1]benzopyrano[5',6':6,7]indeno[1,2-b]indol-5b-ol,1,4a...
488725-96-8 structure

5bH-[1,3]Dioxino[5'',4'':2',3']oxireno[4',4'a][1]benzopyrano[5',6':6,7]indeno[1,2-b]indol-5b-ol,1,4a,4b,6,7,7a,8,13,13b,13c,14,15,15a,16a-tetradecahydro-1,1,13b,13c-tetramethyl-3-(2-methyl-1-propen-1-yl)-,(3S,4aR,4bR,5aS,5bS,7aS,13bS,13cR,15aS,16aS)-

CAS No.:488725-96-8
Molecular Weight:468.572
Molecular Formula:C6BAO6 (isomer)
Names and Identifiers
Synonyms

(-)-Terpendole C 5bH-[1,3]Dioxino[5'',4'':2',3']oxireno[4',4'a][1]benzopyrano[5',6':6,7]indeno[1,2-b]indol-5b-ol,1,4a,4b,6,7,7a,8,13,13b,13c,14,15,15a,16a-tetradecahydro-1,1,13b,13c-tetramethyl-3-(2-methyl-1-propenyl)-,(3S,4aR,4bR,5aS,5bS,7aS,13bS,13cR,15aS,16aS)- (9CI) Terpendole C

Inchi
InChI=1S/C24H28N4O4S/c1-24(2)12-16-17(13-32-24)21(28-7-9-31-10-8-28)27-23-18(16)19(25)20(33-23)22(29)26-14-5-4-6-15(11-14)30-3/h4-6,11H,7-10,12-13,25H2,1-3H3,(H,26,29)
InChkey
KUYDKYFMDXJFDO-UHFFFAOYSA-N
Canonical Smiles
CC1(CC2=C3C(=C(SC3=NC(=C2CO1)N4CCOCC4)C(=O)NC5=CC(=CC=C5)OC)N)C
Properties
Density
0.984
Boiling Point
830.8°C at 760 mmHg
Flash Point
°C
Computational chemical data
  • Molecular Weight:468.572g/mol
  • Molecular Formula:C6BAO6
  • Compound Is Canonicalized:True
  • Exact Mass:468.183
  • Monoisotopic Mass:468.183
  • Complexity:706
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:8
  • Heavy Atom Count:33
  • 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:1
 
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