Cas no 39110-99-1 (1-[(14S)-13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-14-yl]-3-(13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-14-yl)propan-2-one)

1-[(14S)-13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-14-yl]-3-(13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-14-yl)propan-2-one structure
39110-99-1 structure
Product Name:1-[(14S)-13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-14-yl]-3-(13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-14-yl)propan-2-one
CAS No:39110-99-1
MF:C43H32N2O9
MW:720.722191810608
CID:1499020
PubChem ID:190990
Update Time:2025-04-21

1-[(14S)-13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-14-yl]-3-(13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-14-yl)propan-2-one Chemical and Physical Properties

Names and Identifiers

    • 1-[(14S)-13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-14-yl]-3-(13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-14-yl)propan-2-one
    • Chelidimerine
    • rel-1-[(14R)-13,14-Dihydro-13-methyl[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-14-yl]-3-[(14S)-13,14-dihydro-13-methyl[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-14-yl]-2-propanone
    • Alkaloid CM-1, from Chelidonium majus
    • 1,3-Bis(11-hydrosanquinarinyl)acetone
    • 1,3-Bis(13-methyl-13,14-dihydro-2H,10H-[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-14-yl)propan-2-one
    • DTXSID20959920
    • 39110-99-1
    • 2-Propanone,1,3-bis(13,14-dihydro-13-methyl- [1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]- phenanthridin-14-yl)-,(R*,S*)-
    • 1-[(23S)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl]-3-(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl)propan-2-one
    • Inchi： 1S/C43H32N2O9/c1-44-30(38-24(7-9-32-42(38)53-19-47-32)26-5-3-21-11-34-36(51-17-49-34)15-28(21)40(26)44)13-23(46)14-31-39-25(8-10-33-43(39)54-20-48-33)27-6-4-22-12-35-37(52-18-50-35)16-29(22)41(27)45(31)2/h3-12,15-16,30-31H,13-14,17-20H2,1-2H3
    • InChI Key： NIQFOSSBJJDEES-UHFFFAOYSA-N
    • SMILES： CN1C2C(=CC=C3C=2C=C2C(OCO2)=C3)C2C(=C3C(=CC=2)OCO3)C1CC(CC1C2C(=CC=C3C=2OCO3)C2C=CC3C(C=2N1C)=CC1=C(OCO1)C=3)=O

Computed Properties

  • Exact Mass: 720.21086
  • Monoisotopic Mass: 720.211
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 54
  • Rotatable Bond Count: 4
  • Complexity: 1330
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 97.4?2
  • XLogP3: 5.375

Experimental Properties

  • Color/Form: Powder
  • Density: 1.457±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.725
  • Solubility: Insuluble (1.1E-7 g/L) (25 oC),
  • PSA: 97.39

1-[(14S)-13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-14-yl]-3-(13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-14-yl)propan-2-one Related Literature

Related Categories

39110-99-1 (1-[(14S)-13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-14-yl]-3-(13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-14-yl)propan-2-one) Related Products

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