Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4β,7β,8β)-

CAS Registry Number®

21284-11-7

CAS Name

Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4β,7β,8β)-

Molecular Formula

C19H24O5

Molecular Mass

332.39

Cite this Page

Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4β,7β,8β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21284-11-7 (retrieved 2024-11-23) (CAS RN: 21284-11-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    155.5 °C

  • Density (2)

    1.265 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H24O5/c1-5-6-14(20)23-12-8-13-19(9-21-19)18(12,4)17(3)11(22-13)7-10(2)15-16(17)24-15/h5-7,11-13,15-16H,8-9H2,1-4H3/b6-5-/t11-,12-,13-,15+,16+,17-,18-,19+/m1/s1

InChIKey

InChIKey=LAQCZBYXNRANFU-WQOXNDGTSA-N

SMILES

C[C@]12[C@@]3([C@](O[C@]4([C@]1(C)[C@@]5([C@@](O5)(C(C)=C4)[H])[H])[H])(C[C@H]2OC(/C=C\C)=O)[H])CO3

Canonical SMILES

O=C(OC1CC2OC3C=C(C)C4OC4C3(C)C1(C)C52OC5)C=CC

Other Names for this Substance

  • Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (2Z)-2-butenoate, (4β,7β,8β)-
  • Trichothec-9-en-4β-ol, 7β,8β:12,13-diepoxy-, crotonate, (Z)-
  • Crotocin
  • Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, 2-butenoate, [4β(Z),7β,8β]-
  • Crotonic acid, 7β,8β:12,13-diepoxytrichothec-9-en-4β-yl ester, (Z)-

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