Cas no 100762-36-5 (Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 3,15-diacetate 8-(3-hydroxy-3-methylbutanoate), (3a,4b,8a)- (9CI))

Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 3,15-diacetate 8-(3-hydroxy-3-methylbutanoate), (3a,4b,8a)- (9CI) structure
100762-36-5 structure
Product Name:Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 3,15-diacetate 8-(3-hydroxy-3-methylbutanoate), (3a,4b,8a)- (9CI)
CAS No:100762-36-5
MF:C24H34O10
MW:482.520768642426
CID:194771
PubChem ID:91809165
Update Time:2025-04-19

Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 3,15-diacetate 8-(3-hydroxy-3-methylbutanoate), (3a,4b,8a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 3,15-diacetate 8-(3-hydroxy-3-methylbutanoate), (3a,4b,8a)- (9CI)
    • iso TC 1
    • (3beta,4alpha,8alpha,12xi)-3,15-bis(acetyloxy)-4-hydroxy-12,13-epoxytrichothec-9-en-8-yl 3-hydroxy-3-methylbutanoate
    • 3,15-Diacetoxy-4-hydroxy-8-(3-methyl-3'-hydroxybutyryloxy)-12,13-epoxytrichothec-9-ene
    • Iso-TC-1
    • Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 3,15-diacetate 8-(3-hydroxy-3-methylbutanoate), (3alpha,4beta,8alpha)-
    • X1TCS0QD64
    • 100762-36-5
    • [(1S,2R,4S,7R,9S,10R,11S,12S)-10-acetyloxy-2-(acetyloxymethyl)-11-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-hydroxy-3-methylbutanoate
    • UNII-X1TCS0QD64
    • Inchi： 1S/C24H34O10/c1-12-7-16-23(10-30-13(2)25,8-15(12)33-17(27)9-21(4,5)29)22(6)19(28)18(32-14(3)26)20(34-16)24(22)11-31-24/h7,15-16,18-20,28-29H,8-11H2,1-6H3/t15-,16+,18+,19+,20-,22+,23+,24-/m0/s1
    • InChI Key： FOHUQNSVOKPYSD-AYSIDWIMSA-N
    • SMILES： O1C[C@]21[C@@H]1[C@@H]([C@H]([C@]2(C)[C@@]2(COC(C)=O)C[C@@H](C(C)=C[C@H]2O1)OC(CC(C)(C)O)=O)O)OC(C)=O

Computed Properties

  • Exact Mass: 482.21522
  • Monoisotopic Mass: 482.215197
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 9
  • Complexity: 927
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 141
  • XLogP3: -0.5

Experimental Properties

  • Density: 1.33
  • Boiling Point: 600.1°Cat760mmHg
  • Flash Point: 197.9°C
  • Refractive Index: 1.561
  • PSA: 141.12

Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 3,15-diacetate 8-(3-hydroxy-3-methylbutanoate), (3a,4b,8a)- (9CI) Related Literature

100762-36-5 (Trichothec-9-ene-3,4,8,15-tetrol,12,13-epoxy-, 3,15-diacetate 8-(3-hydroxy-3-methylbutanoate), (3a,4b,8a)- (9CI)) Related Products

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