Cas no 142203-64-3 (Spiro[6,10-methanobenzocyclodecene-4(1H),2'-oxirane]-1,3,5,8,9,11,12-heptol,2,3,4a,5,6,7,8,11,12,12a-decahydro-9,12a,13,13-tetramethyl-,3,5,8,11-tetraacetate, (1S,2'R,3S,4aR,5S,6S,8S,11R,12R,12aS)-)

Spiro[6,10-methanobenzocyclodecene-4(1H),2'-oxirane]-1,3,5,8,9,11,12-heptol,2,3,4a,5,6,7,8,11,12,12a-decahydro-9,12a,13,13-tetramethyl-,3,5,8,11-tetraacetate, (1S,2'R,3S,4aR,5S,6S,8S,11R,12R,12aS)- structure
142203-64-3 structure
Product Name:Spiro[6,10-methanobenzocyclodecene-4(1H),2'-oxirane]-1,3,5,8,9,11,12-heptol,2,3,4a,5,6,7,8,11,12,12a-decahydro-9,12a,13,13-tetramethyl-,3,5,8,11-tetraacetate, (1S,2'R,3S,4aR,5S,6S,8S,11R,12R,12aS)-
CAS No:142203-64-3
MF:C28H40O12
MW:568.610010147095
CID:178350
PubChem ID:197460
Update Time:2025-04-19

Spiro[6,10-methanobenzocyclodecene-4(1H),2'-oxirane]-1,3,5,8,9,11,12-heptol,2,3,4a,5,6,7,8,11,12,12a-decahydro-9,12a,13,13-tetramethyl-,3,5,8,11-tetraacetate, (1S,2'R,3S,4aR,5S,6S,8S,11R,12R,12aS)- Chemical and Physical Properties

Names and Identifiers

    • Spiro[6,10-methanobenzocyclodecene-4(1H),2'-oxirane]-1,3,5,8,9,11,12-heptol,2,3,4a,5,6,7,8,11,12,12a-decahydro-9,12a,13,13-tetramethyl-,3,5,8,11-tetraacetate, (1S,2'R,3S,4aR,5S,6S,8S,11R,12R,12aS)-
    • Taxumairol B
    • Hddabi
    • Spiro[6,10-methanobenzocyclodecene-4(1H),2'-oxirane]-1,3,5,8,9,11,12-heptol,2,3,4a,5,6,7,8,11,...
    • Spiro[6,10-methanobenzocyclodecene-4(1H),2'-oxirane]-1,3,5,8,9,11,12-heptol,2,3,4a,5,6,7,8,11,12,12a-decahydro-9,12a,13,13-te
    • (2alpha,4alpha,5alpha,7beta,9alpha,10beta,13alpha)-1,7,9-trihydroxy-4,20-epoxytax-11-ene-2,5,10,13-tetrayl tetraacetate
    • (2alpha,4xi,5alpha,7beta,9alpha,10beta,13alpha)-1,7,9-trihydroxy-4,20-epoxytax-11-ene-2,5,10,13-tetrayl tetraacetate
    • 1-Hydroxy-7,9-dideacetylbaccatin I
    • [ "" ]
    • DTXSID00931385
    • 1,7,9-Trihydroxy-4,20-epoxytax-11-ene-2,5,10,13-tetrayl tetraacetate
    • [(1'S,2'S,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',10',13'-triacetyloxy-1',7',9'-trihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-5'-yl] acetate
    • 1-Hydroxy-7,9-dideacetyl baccatin I
    • 142203-64-3
    • AKOS040762411
    • SCHEMBL43656
    • CHEMBL516669
    • [(1'S,2R,2'S,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',10',13'-triacetyloxy-1',7',9'-trihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-5'-yl] acetate
    • Inchi: 1S/C28H40O12/c1-12-17(37-13(2)29)10-28(35)24(40-16(5)32)22-26(8,18(33)9-19(38-14(3)30)27(22)11-36-27)23(34)21(39-15(4)31)20(12)25(28,6)7/h17-19,21-24,33-35H,9-11H2,1-8H3/t17-,18-,19-,21+,22-,23-,24-,26+,27?,28+/m0/s1
    • InChI Key: WJMBBODKITXTJA-YHGXYTIQSA-N
    • SMILES: O1CC21[C@H](C[C@@H]([C@@]1(C)[C@H]([C@@H](C3=C(C)[C@H](C[C@](C3(C)C)([C@H]([C@H]21)OC(C)=O)O)OC(C)=O)OC(C)=O)O)O)OC(C)=O

Computed Properties

  • Exact Mass: 568.25197671g/mol
  • Monoisotopic Mass: 568.25197671g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 8
  • Complexity: 1140
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.5
  • Topological Polar Surface Area: 178?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.35±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 633.8±55.0 °C at 760 mmHg
  • Flash Point: 199.0±25.0 °C
  • Solubility: Slightly soluble (1.9 g/l) (25 o C),
  • Vapor Pressure: 0.0±4.2 mmHg at 25°C

Spiro[6,10-methanobenzocyclodecene-4(1H),2'-oxirane]-1,3,5,8,9,11,12-heptol,2,3,4a,5,6,7,8,11,12,12a-decahydro-9,12a,13,13-tetramethyl-,3,5,8,11-tetraacetate, (1S,2'R,3S,4aR,5S,6S,8S,11R,12R,12aS)- Security Information

Spiro[6,10-methanobenzocyclodecene-4(1H),2'-oxirane]-1,3,5,8,9,11,12-heptol,2,3,4a,5,6,7,8,11,12,12a-decahydro-9,12a,13,13-tetramethyl-,3,5,8,11-tetraacetate, (1S,2'R,3S,4aR,5S,6S,8S,11R,12R,12aS)- Pricemore >>

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Spiro[6,10-methanobenzocyclodecene-4(1H),2'-oxirane]-1,3,5,8,9,11,12-heptol,2,3,4a,5,6,7,8,11,12,12a-decahydro-9,12a,13,13-tetramethyl-,3,5,8,11-tetraacetate, (1S,2'R,3S,4aR,5S,6S,8S,11R,12R,12aS)- Related Literature

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