Cas no 128530-02-9 (2-Butenedioic acid,2-methyl-,1,1'-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-2,6,10,14-hexadecatetraene-1,16-diyl]ester, (2E,2'E)- (9CI))

2-Butenedioic acid,2-methyl-,1,1'-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-2,6,10,14-hexadecatetraene-1,16-diyl]ester, (2E,2'E)- (9CI) structure
128530-02-9 structure
Product Name:2-Butenedioic acid,2-methyl-,1,1'-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-2,6,10,14-hexadecatetraene-1,16-diyl]ester, (2E,2'E)- (9CI)
CAS No:128530-02-9
MF:C30H42O8
MW:530.649690151215
CID:227599
PubChem ID:14527061
Update Time:2025-04-19

2-Butenedioic acid,2-methyl-,1,1'-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-2,6,10,14-hexadecatetraene-1,16-diyl]ester, (2E,2'E)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2-Butenedioic acid,2-methyl-,1,1'-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-2,6,10,14-hexadecatetraene-1,16-diyl]ester, (2E,2'E)- (9CI)
    • 2-Butenedioic acid,2-methyl-,1,1'-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-2,6,10,14-hexadecatetraene-1,16-diyl]ester, (2E,2'E)
    • 2-Butenedioicacid, 2-methyl-,1,1'-(2,6,10,14-tetramethyl-2,6,10,14-hexadecatetraene-1,16-diyl) ester,(all-E)-
    • Cavipetin A
    • 2-Butenedioic acid, 2-methyl-, 1,1'-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-2,6,10,14-hexadecatetraene-1,16-diyl] ester, (2E,2'E)-
    • (E)-4-[(2E,6E,10E,14E)-16-[(E)-3-carboxy-2-methylprop-2-enoyl]oxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]-3-methyl-4-oxobut-2-enoic acid
    • 128530-02-9
    • DTXSID001102914
    • CHEBI:183546
    • Inchi： 1S/C30H42O8/c1-21(12-8-14-23(3)16-17-37-29(35)25(5)18-27(31)32)10-7-11-22(2)13-9-15-24(4)20-38-30(36)26(6)19-28(33)34/h11-12,15-16,18-19H,7-10,13-14,17,20H2,1-6H3,(H,31,32)(H,33,34)/b21-12+,22-11+,23-16+,24-15+,25-18+,26-19+
    • InChI Key： GUDPQPGYABLCEA-OWQAWYIFSA-N
    • SMILES： O(C(/C(=C/C(=O)O)/C)=O)C/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CC/C(=C/COC(/C(=C/C(=O)O)/C)=O)/C

Computed Properties

  • Exact Mass: 272.08309
  • Monoisotopic Mass: 530.28796829g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 19
  • Complexity: 1020
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 6
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.8
  • Topological Polar Surface Area: 127?2

Experimental Properties

  • PSA: 52.54

2-Butenedioic acid,2-methyl-,1,1'-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-2,6,10,14-hexadecatetraene-1,16-diyl]ester, (2E,2'E)- (9CI) Related Literature

Related Categories

128530-02-9 (2-Butenedioic acid,2-methyl-,1,1'-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-2,6,10,14-hexadecatetraene-1,16-diyl]ester, (2E,2'E)- (9CI)) Related Products

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