Cas no 13312-52-2 (9-cis-β-Carotene)

9-cis-β-Carotene structure
9-cis-β-Carotene structure
Product Name:9-cis-β-Carotene
CAS No:13312-52-2
MF:C40H56
MW:536.872652053833
CID:824701
PubChem ID:329757890
Update Time:2025-04-19

9-cis-β-Carotene Chemical and Physical Properties

Names and Identifiers

    • 9-cis-β-Carotene
    • 1,3,3-trimethyl-2-[(1E,3Z,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
    • (9Z)-β-β-Carotene
    • Neo-β-carotene U
    • (9Z)-β-Carotene
    • neo U-β-Carotene
    • (9Z)-β,β-Carotene
    • 3K5NFW97PV
    • 9-CIS-.BETA.,.BETA.-CAROTENE
    • 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15Z,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
    • OENHQHLEOONYIE-BVZAMQQESA-N
    • HY-136234
    • Q27135678
    • AKOS040740678
    • (9Z)-.BETA.,.BETA.-CAROTENE
    • 9-CIS-.BETA.-CAROTENE
    • 9-Cis-beta,beta-Carotene
    • (9Z)-.BETA.-CAROTENE
    • 9-cis-
    • 9-Cis Beta-Carotene
    • neo-beta-carotene U
    • beta,beta-Carotene, neo-U
    • C20484
    • .BETA.,.BETA.-CAROTENE, 9-CIS-
    • 2,2'-((1E,3Z,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENE-1,18-DIYL)BIS(1,3,3-TRIMETHYLCYCLOHEX-1-ENE)
    • (9Z)-beta-Carotene
    • NEO-.BETA.-CAROTENE U
    • (9CIS)-.BETA.,.BETA.-CAROTENE
    • beta-Carotene, (9Z)-
    • 13312-52-2
    • beta,beta-Carotene, 9-cis-
    • .BETA.-CAROTENE, NEO U-
    • CHEBI:67188
    • UNII-3K5NFW97PV
    • 9-cis-beta-carotene
    • A-Carotene
    • CS-0120904
    • .BETA.-CAROTENE, (9Z)-
    • DTXSID70920483
    • 9-cis-??-Carotene
    • (9Z)-beta-Carotene, >=90.0% (HPLC)
    • (9Z)-I2,I2-Carotene
    • (9CIS)-BETA,BETA-CAROTENE
    • BETA-CAROTENE, NEO U-
    • DTXCID101349391
    • DA-50040
    • 9-cis-b-Carotene
    • (9Z)-I2-Carotene
    • 1,3,3-trimethyl-2-((1E,3E,5E,7E,9E,11E,13E,15Z,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl)cyclohexene
    • 9-cis-I2,I2-Carotene
    • (9Z)-BETA,BETA-CAROTENE
    • 9-cis-I2-Carotene
    • MDL： MFCD00870648
    • Inchi： 1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21-,34-22+
    • InChI Key： OENHQHLEOONYIE-BVZAMQQESA-N
    • SMILES： C1(C)(C)C(/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C2=C(C)CCCC2(C)C)/C)/C)=C(C)CCC1

Computed Properties

  • Exact Mass: 536.438201786g/mol
  • Monoisotopic Mass: 536.438201786g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 10
  • Complexity: 1120
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 9
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 13.5
  • Topological Polar Surface Area: 0?2

9-cis-β-Carotene Security Information

  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Storage Condition：?20°C

9-cis-β-Carotene Pricemore >>

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