Cas no 111308-93-1 (Magnesate(1-),[13,21-dimethyl(21R)-3-[(1E)-2-carboxyethenyl]-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorbinedicarboxylato(3-)-kN23,kN24,kN25,kN26]-, hydrogen (1:1), (SP-4-2)-)

Magnesate(1-),[13,21-dimethyl(21R)-3-[(1E)-2-carboxyethenyl]-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorbinedicarboxylato(3-)-kN23,kN24,kN25,kN26]-, hydrogen (1:1), (SP-4-2)- structure
111308-93-1 structure
Product Name:Magnesate(1-),[13,21-dimethyl(21R)-3-[(1E)-2-carboxyethenyl]-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorbinedicarboxylato(3-)-kN23,kN24,kN25,kN26]-, hydrogen (1:1), (SP-4-2)-
CAS No:111308-93-1
MF:C36H28MgN4O7
MW:652.935129165649
CID:148216
PubChem ID:71587417
Update Time:2025-04-19

Magnesate(1-),[13,21-dimethyl(21R)-3-[(1E)-2-carboxyethenyl]-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorbinedicarboxylato(3-)-kN23,kN24,kN25,kN26]-, hydrogen (1:1), (SP-4-2)- Chemical and Physical Properties

Names and Identifiers

    • Magnesate(1-),[13,21-dimethyl(21R)-3-[(1E)-2-carboxyethenyl]-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorbinedicarboxylato(3-)-kN23,kN24,kN25,kN26]-, hydrogen (1:1), (SP-4-2)-
    • CHLOROPHYLL C3
    • CHLOROPHYLL C3(AS) (In Solution)
    • CHLOROPHYLL C3(AS) (In Solution) PrintBack
    • Magnesate(1-),[13,21-dimethyl(21R)-3-[(1E)-2-carboxyethenyl]-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorb
    • Magnesate(1-), [13,21-dimethyl3-(2-carboxyethenyl)-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorbinedicarboxylato(3-)-N23,N24,N25,N26]-,hydrogen, [SP-4-2-(E)]-
    • Magnesate(1-),[13,21-dimethyl3-(2-carboxyethenyl)-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorbinedicarboxylato(3-)-kN23,kN24,kN25,kN26]-, hydrogen, [SP-4-2-(E)]-
    • Phorbine, magnesate(1-) deriv.
    • CHLOROPHYLL C3(SH)
    • Magnesate(1-), (13,21-dimethyl 3-(2-carboxyethenyl)-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorbinedicarboxylato(3-)-kappan23,kappan24,kappan25,kappan26)-, hydrogen, (sp-4-2-(E))-
    • 111308-93-1
    • MAGNESATE(1-), (13,21-DIMETHYL 3-(2-CARBOXYETHENYL)-3,4-DIDEHYDRO-9,14-DIETHENYL-4,8,18-TRIMETHYL-20-OXO-13,21-PHORBINEDICARBOXYLATO(3-)-.KAPPA.N23,.KAPPA.N24,.KAPPA.N25,.KAPPA.N26)-, HYDROGEN, (SP-4-2-(E))-
    • MAGNESATE(1-), (13,21-DIMETHYL (21R)-3-((1E)-2-CARBOXYETHENYL)-3,4-DIDEHYDRO-9,14-DIETHENYL-4,8,18-TRIMETHYL-20-OXO-13,21-PHORBINEDICARBOXYLATO(3-)-.KAPPA.N23,.KAPPA.N24,.KAPPA.N25,.KAPPA.N26)-, HYDROGEN (1:1), (SP-4-2)-
    • UNII-FMN10170B8
    • Magnesate(1-), (13,21-dimethyl (21R)-3-((1E)-2-carboxyethenyl)-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorbinedicarboxylato(3-)kappa23,kappan24,kappan25,kappan26)-, hydrogen (1:1), (sp-4-2)-
    • FMN10170B8
    • magnesium;(E)-3-[(3R)-11,16-bis(ethenyl)-3,12-bis(methoxycarbonyl)-17,21,26-trimethyl-4-oxido-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13,15(24),16,18,20(23),21-dodecaen-22-yl]prop-2-enoate
    • Magnesate(1-), (13,21-dimethyl 3-(2-carboxyethenyl)-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorbinedicarboxylato(3-)-N23,N24,N25,N26)-, hydrogen, (sp-4-2-(E))-
    • Inchi： 1S/C36H30N4O7.Mg/c1-8-18-15(3)21-12-22-16(4)20(10-11-27(41)42)32(39-22)30-31(36(45)47-7)34(43)28-17(5)23(40-33(28)30)13-25-19(9-2)29(35(44)46-6)26(38-25)14-24(18)37-21;/h8-14,31,38,43H,1-2H2,3-7H3,(H,41,42);/q;+2/p-2/b11-10+,21-12-,25-13-,26-14-,32-30-;/t31-;/m1./s1
    • InChI Key： CWLZENTWIZFJMW-XUUVDDQRSA-L
    • SMILES： [Mg+2].[O-]C1=C2C(C)=C3C=C4C(C=C)=C(C(=O)OC)C(=CC5C(C=C)=C(C)C(=CC6C(C)=C(/C=C/C(=O)[O-])C(=C(C2=N3)[C@H]1C(=O)OC)N=6)N=5)N4 |t:6,16,24,35|

Computed Properties

  • Exact Mass: 652.18100
  • Monoisotopic Mass: 652.1808409g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 48
  • Rotatable Bond Count: 7
  • Complexity: 2090
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 165?2

Experimental Properties

  • PSA: 168.66000
  • LogP: 0.71400

Magnesate(1-),[13,21-dimethyl(21R)-3-[(1E)-2-carboxyethenyl]-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorbinedicarboxylato(3-)-kN23,kN24,kN25,kN26]-, hydrogen (1:1), (SP-4-2)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
ChromaDex Standards
ASB-00003464-00A-2.5ml
CHLOROPHYLL C3
 111308-93-1 %
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 $492.00 2023-10-25
ChromaDex Standards
ASB-00003464-00A-2.5ml
magnesium;(E)-3-[(3R)-11,16-bis(ethenyl)-3,12-bis(methoxycarbonyl)-17,21,26-trimethyl-4-oxido-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13,15(24),16,18,20(23),21-dodecaen-22-yl]prop-2-enoate
 111308-93-1
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Magnesate(1-),[13,21-dimethyl(21R)-3-[(1E)-2-carboxyethenyl]-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorbinedicarboxylato(3-)-kN23,kN24,kN25,kN26]-, hydrogen (1:1), (SP-4-2)- Related Literature

111308-93-1 (Magnesate(1-),[13,21-dimethyl(21R)-3-[(1E)-2-carboxyethenyl]-3,4-didehydro-9,14-diethenyl-4,8,18-trimethyl-20-oxo-13,21-phorbinedicarboxylato(3-)-kN23,kN24,kN25,kN26]-, hydrogen (1:1), (SP-4-2)-) Related Products

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