Cas no 2111-46-8 (Marsformoxide B)

Marsformoxide B structure
Marsformoxide B structure
Product Name:Marsformoxide B
CAS No:2111-46-8
MF:C32H50O3
MW:482.74
CID:285775
PubChem ID:15598266
Update Time:2025-04-29

Marsformoxide B Chemical and Physical Properties

Names and Identifiers

    • 27-Norolean-14-en-3-ol,11,12-epoxy-13-methyl-, 3-acetate, (3b,11a,12a)-
    • (3S,4aR,6aR,8aR,12aR,12bS,12cR,13aS,13bR,13cS)-4,4,6a,8a,11,11,12b,13c-octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,12c,13a,13b,13c-icosahydropiceno[13,14-b]oxiren-3-yl acetate
    • Marsformoxide B
    • [3S-(3a,4ab,6aa,8aa,12aa,12bb,12ca,13aa,13bb,13ca)]-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,12c,13a,13b,13c-Eicosahydro-4,4,6a,8a,11,11,12b,13c-octamethylpiceno[13,14-b]oxiren-3
    • 11a,12a-Oxidotaraxeryl acetate
    • 27-Norolean-14-en-3-ol,11,12-epoxy-13-methyl-, acetate, (3b,11a,12a,13a)- (9CI)
    • D-Friedoolean-14-en-3b-ol, 11a,12a-epoxy-, acetate (7CI,8CI)
    • D-Friedoolean-14-en-3-ol, 11,12-epoxy-, acetate, (3b,11a,12a)-
    • 11alpha,12alpha-Oxidotaraxeryl acetate
    • AKOS032962675
    • [(1S,2R,4S,5R,6S,9S,11R,14R,18R,23R)-1,6,10,10,14,18,21,21-octamethyl-3-oxahexacyclo[13.8.0.02,4.05,14.06,11.018,23]tricos-15-en-9-yl] acetate
    • Inchi： 1S/C32H50O3/c1-19(33)34-23-12-15-30(7)20(28(23,4)5)11-14-31(8)21-10-13-29(6)17-16-27(2,3)18-22(29)32(21,9)26-24(35-26)25(30)31/h10,20,22-26H,11-18H2,1-9H3/t20-,22+,23-,24-,25+,26-,29-,30-,31-,32+/m0/s1
    • InChI Key： QOGCRIPTNFPMGC-YGEHHLFGSA-N
    • SMILES： O1[C@H]2[C@@H]1[C@@H]1[C@@]3(C)CC[C@@H](C(C)(C)[C@@H]3CC[C@@]1(C)C1=CC[C@@]3(C)CCC(C)(C)C[C@H]3[C@]21C)OC(C)=O

Computed Properties

  • Exact Mass: 482.37600
  • Monoisotopic Mass: 482.37599545g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 2
  • Complexity: 977
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 8.6
  • Topological Polar Surface Area: 38.8?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.08±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 306-307 oC (chloroform )
  • Boiling Point: 520.7±50.0 °C at 760 mmHg
  • Flash Point: 226.1±24.7 °C
  • Solubility: Insuluble (6.8E-6 g/L) (25 oC),
  • PSA: 38.83000
  • LogP: 7.72690
  • Vapor Pressure: 0.0±1.4 mmHg at 25°C

Marsformoxide B Security Information

Marsformoxide B Pricemore >>

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