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...
306294-08-6 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)-

Iupac Name:5-(furan-2-yl)-3,3-dimethyl-2,4,5,6-tetrahydrobenzo[a]phenanthridin-1-one
CAS No.:306294-08-6
Molecular Weight:343.426
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/C23H21NO2/c1-23(2)12-16-21(18(25)13-23)20-15-7-4-3-6-14(15)9-10-17(20)24-22(16)19-8-5-11-26-19/h3-11,22,24H,12-13H2,1-2H3
InChkey
FXETTWCKRHZRDB-UHFFFAOYSA-N
Canonical Smiles
CC1(CC2=C(C(=O)C1)C3=C(C=CC4=CC=CC=C43)NC2C5=CC=CO5)C
Properties
Density
1.778
Boiling Point
314°C at 760 mmHg
Flash Point
°C
Storage temp
-20?C Freezer
Safety and Handling
Specification

Pale Yellow Solid
usageEng:A new limonoid
Computational chemical data
  • Molecular Weight:343.426g/mol
  • Molecular Formula:C12H10F3N3O5
  • Compound Is Canonicalized:True
  • Exact Mass:343.157
  • Monoisotopic Mass:343.157
  • Complexity:622
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
<