Cas no 30244-37-2 ((2',5',9',10',13'-Pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl) acetate)

(2',5',9',10',13'-Pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl) acetate structure
30244-37-2 structure
Product Name:(2',5',9',10',13'-Pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl) acetate
CAS No:30244-37-2
MF:C32H44O14
MW:652.683371543884
CID:297245
PubChem ID:433455
Update Time:2025-04-19

(2',5',9',10',13'-Pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl) acetate Chemical and Physical Properties

Names and Identifiers

    • Spiro[6,10-methanobenzocyclodecene-4(6H),2'-oxirane]-1,3,5,6,8,11,12-heptol,1,2,3,4a,5,7,8,11,12,12a-decahydro-9,12a,13,13-tetramethyl-,1,3,5,8,11,12-hexaacetate, (1S,2'R,3S,4aR,5S,6S,8S,11R,12R,12aS)- (9CI)
    • (2alpha,5alpha,7beta,9alpha,10beta,13alpha)-1-Hydroxy-4,20-epoxytax-11-ene-2,5,7,9,10,13-hexayl hexaacetate
    • 1-Hydroxybaccatin I
    • 1β-hydroxybaccatin I
    • HYDROXYBACCATIN I, 1-(RG)
    • Spiro[6,10-methanobenzocyclodecene-4(6H),2'-oxirane]-1,3,5,6,8,11,12-heptol,1,2,3,4a,5,7,8,11,...
    • Spiro[6,10-methanobenzocyclodecene-4(6H),2'-oxirane]-1,3,5,6,8,11,12-heptol,1,2,3,4a,5,7,8,11,12,12a-decahydro-9,12a,13,13-te
    • Spiro[6,10-methanobenzocyclodecene-4(6H),2'-oxirane]-1,3,5,6,8,11,12-heptol,1,2,3,4a,5,7,8,11,12,12a-decahydro-9,12a,13,13-tetramethyl-,1,3,5,8,11,12-hexaacetate, (1S,2'R,3S,4aR,5S,6S,8S,11R,12R,12aS)
    • [ "" ]
    • NSC330755
    • (2',5',9',10',13'-Pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.
    • (2',5',9',10',13'-Pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl) acetate
    • 30244-37-2
    • NSC-330755
    • [(1'S,2S,2'S,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',5',9',10',13'-pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0^{3,8]pentadec-11-ene]-7'-yl] acetate
    • DTXSID70330902
    • AKOS032948502
    • B0005-178792
    • CHEMBL420772
    • [(1'S,2R,2'S,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',5',9',10',13'-pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl] acetate
    • A-Hydroxybaccatin I
    • FS-9730
    • CS-0017289
    • 1
    • AKOS040760885
    • HY-N1628
    • SCHEMBL43784
    • NSC 330755
    • 1-Hydroxybaccatin I; 1beta-Hydroxybaccatin I
    • [(1'S,2S,2'S,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',5',9',10',13'-Pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl] acetate
    • 2',5',7',9',10'-PENTAKIS(ACETYLOXY)-1'-HYDROXY-8',12',15',15'-TETRAMETHYLSPIRO[OXIRANE-2,4'-TRICYCLO[9.3.1.0(3),?]PENTADECAN]-11'-EN-13'-YL ACETATE
    • Inchi： 1S/C32H44O14/c1-14-21(41-15(2)33)12-32(39)28(46-20(7)38)26-30(10,22(42-16(3)34)11-23(43-17(4)35)31(26)13-40-31)27(45-19(6)37)25(44-18(5)36)24(14)29(32,8)9/h21-23,25-28,39H,11-13H2,1-10H3
    • InChI Key： LUTPIRPNUNHFEV-UHFFFAOYSA-N
    • SMILES： O1CC21C(CC(C1(C)C(C(C3=C(C)C(CC(C3(C)C)(C(C21)OC(C)=O)O)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O

Computed Properties

  • Exact Mass: 652.27300
  • Monoisotopic Mass: 652.273
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 46
  • Rotatable Bond Count: 12
  • Complexity: 1370
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 10
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 191

Experimental Properties

  • Color/Form: Cryst.
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 657.2±55.0 °C at 760 mmHg
  • Flash Point: 197.6±25.0 °C
  • Refractive Index: 1.542
  • PSA: 190.56000
  • LogP: 1.86290
  • Vapor Pressure: 0.0±4.5 mmHg at 25°C

(2',5',9',10',13'-Pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl) acetate Security Information

(2',5',9',10',13'-Pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl) acetate Pricemore >>

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(2',5',9',10',13'-Pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl) acetate Related Literature

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