Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 2   > 2H-Cyclopenta[b]naphtho[2,3-d]furan-10-aceticacid,5-(acetyloxy)-2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10...
8020-83-5 structure

2H-Cyclopenta[b]naphtho[2,3-d]furan-10-aceticacid,5-(acetyloxy)-2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-6-(methoxycarbonyl)-1,6,9a,10a-tetramethyl-9-oxo-,methyl ester, (2R,3aR,4aS,5R,5aR,6R,9aR,10S,10aR)-

CAS No.:8020-83-5
Molecular Weight:360.87816
Molecular Formula:C12H10F3N3O5 (isomer)
Names and Identifiers
Synonyms

18,24-Dinor-11,12-secochola-2,13,20,22-tetraene-4,11-dicarboxylicacid, 6-(acetyloxy)-7,15:21,23-diepoxy-4,8-dimethyl-1-oxo-, dimethyl ester, (4a,5a,6a,7a,15b,17a)- 2H-Cyclopenta[b]naphtho[2,3-d]furan-10-acetic acid, 6a-carboxy-2a-(3-furyl)-3,3aa,4ab,5,5aa,6,9,9a,10a,10a-decahydro-5a-hydroxy-1,6,9ab,10ab-tetramethyl-9-oxo-, dimethyl ester, acetate (8CI) 2H-Cyclopenta[b]naphtho[2,3-d]furan-10-acetic acid, 6b-carboxy-2a-(3-furyl)-3,3ab,4ab,5,5aa,6,9,9a,10,10a-decahydro-5a-hydroxy-1,6,9ab,10ab-tetramethyl-9-oxo-, dimethylester, acetate (7CI) 2H-Cyclopenta[b]naphtho[2,3-d]furan-10-acetic acid,5-(acetyloxy)-2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-6-(methoxycarbonyl)-1,6,9a,10a-tetramethyl-9-oxo-,methyl ester, [2R-(2a,3aa,4ab,5a,5aa,6a,9ab,10b,10ab)]- Nimbin (6CI)

Inchi
InChI=1S/C12H4Cl6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H
Canonical Smiles
C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl
Properties
Density
1.778
Boiling Point
314°C at 760 mmHg
Refractive Index
n20/D 1.467(lit.)
Flash Point
°C
Storage temp
-20?C Freezer
Safety and Handling
Specification

Pale Yellow Solid
usageEng:A new limonoid
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:360.87816g/mol
  • Molecular Formula:C12H10F3N3O5
  • XLogP3-AA:7.2
  • Exact Mass:359.841466
  • Monoisotopic Mass:357.844416
  • Complexity:258
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count:18
  • 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
Recommended Suppliers
  • Tel:+420 315 618 369 +420 541 127 236
  • Fax:+420 315 684 008 +420 541 127 633
  • Tel:+1-(800)-877-3225
  • Fax:+1-(631)-348-0913
  • Tel:+49 721 95061-0
  • Fax:+49 721 95061-80
  • Tel:+1-(815)-398-1788
  • Fax:+1-(815)-398-1810
  • Tel:+1-973-740-2300
  • Fax:+1-973-740-1839
  • Tel:2035740075
  • Fax:+203-574-3181
  • Tel:800 932 5000
  • Fax:610 436 1761
  • Tel:(852) 23902293
  • Fax:+852 2789 8314
  • Tel:81 03 3270 5413
  • Fax:81 03 3270 5461
  • Tel:(0821) 90 60 80
  • Fax:(0821) 90 60 888
Recommended Suppliers
  • Tel:+420 315 618 369 +420 541 127 236
  • Fax:+420 315 684 008 +420 541 127 633
  • Tel:+1-(800)-877-3225
  • Fax:+1-(631)-348-0913
  • Tel:+49 721 95061-0
  • Fax:+49 721 95061-80
  • Tel:+1-(815)-398-1788
  • Fax:+1-(815)-398-1810
  • Tel:+1-973-740-2300
  • Fax:+1-973-740-1839
  • Tel:2035740075
  • Fax:+203-574-3181
  • Tel:800 932 5000
  • Fax:610 436 1761
  • Tel:(852) 23902293
  • Fax:+852 2789 8314
  • Tel:81 03 3270 5413
  • Fax:81 03 3270 5461
  • Tel:(0821) 90 60 80
  • Fax:(0821) 90 60 888
 
<