Cas no 108214-29-5 (9-Octadecenoic acid(9Z)-,[(3bS,5aS,7R,8S,10aR,10bS)-3b,4,5,6,7,8,9,10,10a,10b-decahydro-7-hydroxy-10b-methyl-5a,8-methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-7-yl]methylester (9CI))

9-Octadecenoic acid(9Z)-,[(3bS,5aS,7R,8S,10aR,10bS)-3b,4,5,6,7,8,9,10,10a,10b-decahydro-7-hydroxy-10b-methyl-5a,8-methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-7-yl]methylester (9CI) structure
108214-29-5 structure
Product Name:9-Octadecenoic acid(9Z)-,[(3bS,5aS,7R,8S,10aR,10bS)-3b,4,5,6,7,8,9,10,10a,10b-decahydro-7-hydroxy-10b-methyl-5a,8-methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-7-yl]methylester (9CI)
CAS No:108214-29-5
MF:C38H56O4
MW:576.848852157593
CID:127857
PubChem ID:146156387
Update Time:2025-04-18

9-Octadecenoic acid(9Z)-,[(3bS,5aS,7R,8S,10aR,10bS)-3b,4,5,6,7,8,9,10,10a,10b-decahydro-7-hydroxy-10b-methyl-5a,8-methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-7-yl]methylester (9CI) Chemical and Physical Properties

Names and Identifiers

    • 9-Octadecenoic acid(9Z)-,[(3bS,5aS,7R,8S,10aR,10bS)-3b,4,5,6,7,8,9,10,10a,10b-decahydro-7-hydroxy-10b-methyl-5a,8-methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-7-yl]methylester (9CI)
    • KAHWEOL LINOLEATE
    • 5a,8-Methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan,9-octadecenoic acid (Z)- deriv
    • Kahweol oleate
    • [(1S,12R,17S)-17-hydroxy-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6,10-trien-17-yl]methyl octadeca-9,12-dienoate
    • 108214-29-5
    • Inchi: 1S/C38H56O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(39)42-29-38(40)28-37-25-21-32-31-23-26-41-33(31)22-24-36(32,2)34(37)20-19-30(38)27-37/h7-8,10-11,22-24,26,30,32,34,40H,3-6,9,12-21,25,27-29H2,1-2H3/t30?,32?,34?,36-,37-,38+/m0/s1
    • InChI Key: IXGJXUJPPPSOLY-JYWPBKCASA-N
    • SMILES: O[C@@]1(COC(CCCCCCCC=CCC=CCCCCC)=O)C[C@@]23CCC4C5C=COC=5C=C[C@]4(C)C2CCC1C3

Computed Properties

  • Exact Mass: 576.41800
  • Monoisotopic Mass: 576.41786026g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 17
  • Complexity: 968
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 2
  • XLogP3: 10.8
  • Topological Polar Surface Area: 59.7?2

Experimental Properties

  • PSA: 59.67000
  • LogP: 10.08430

9-Octadecenoic acid(9Z)-,[(3bS,5aS,7R,8S,10aR,10bS)-3b,4,5,6,7,8,9,10,10a,10b-decahydro-7-hydroxy-10b-methyl-5a,8-methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-7-yl]methylester (9CI) Pricemore >>

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