Cas no 14409-87-1 (3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, 3,7,11,15-tetramethyl-2-hexadecenyl ester, (3S-(3alpha(2E,7S*,11S*),4beta))-)

3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, 3,7,11,15-tetramethyl-2-hexadecenyl ester, (3S-(3alpha(2E,7S*,11S*),4beta))- structure
14409-87-1 structure
Product Name:3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, 3,7,11,15-tetramethyl-2-hexadecenyl ester, (3S-(3alpha(2E,7S*,11S*),4beta))-
CAS No:14409-87-1
MF:C53H72N4O3
MW:813.163794517517
CID:221557
PubChem ID:135612716
Update Time:2025-04-19

3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, 3,7,11,15-tetramethyl-2-hexadecenyl ester, (3S-(3alpha(2E,7S*,11S*),4beta))- Chemical and Physical Properties

Names and Identifiers

    • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, 3,7,11,15-tetramethyl-2-hexadecenyl ester, (3S-(3alpha(2E,7S*,11S*),4beta))-
    • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, 3,7,11,15-tetramet...
    • pyropheophytin a
    • (2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl 3-[(3S,4S)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-24,25-dihydrophorbin-3-yl]propanoate
    • 3,7,11,15-Tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoate (3S-(3alpha(2E,7S*,11S*),4beta))-
    • 14409-87-1
    • Inchi： 1S/C53H72N4O3/c1-12-39-35(8)43-28-45-37(10)41(23-24-50(59)60-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(56-45)42-27-49(58)51-38(11)46(57-53(42)51)30-48-40(13-2)36(9)44(55-48)29-47(39)54-43/h12,25,28-33,37,41,56,58H,1,13-24,26-27H2,2-11H3/b34-25+,45-28-,47-29-,48-30-,52-42-/t32?,33?,37-,41-/m0/s1
    • InChI Key： IUSUCIVGXUDPPK-KZAHWPMLSA-N
    • SMILES： OC1=C2C(C)=C3C=C4C(CC)=C(C)C(C=C5C(C=C)=C(C)C(C=C6[C@@H](C)[C@H](CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C(=C(C2=N3)C1)N6)=N5)=N4 |t:6,14,22,52|

Computed Properties

  • Exact Mass: 812.56044217g/mol
  • Monoisotopic Mass: 812.56044217g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 60
  • Rotatable Bond Count: 20
  • Complexity: 1430
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 1001
  • XLogP3: 14
  • Topological Polar Surface Area: 95.6?2

Experimental Properties

  • Color/Form: Not determined
  • Solubility: Not determined

3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, 3,7,11,15-tetramethyl-2-hexadecenyl ester, (3S-(3alpha(2E,7S*,11S*),4beta))- Related Literature

14409-87-1 (3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, 3,7,11,15-tetramethyl-2-hexadecenyl ester, (3S-(3alpha(2E,7S*,11S*),4beta))-) Related Products

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