Trichothec-9-ene-3,8,15-triol, 12,13-epoxy-, 8-(3-methylbutanoate), (3α,8α)-

CAS Registry Number®

101401-89-2

CAS Name

Trichothec-9-ene-3,8,15-triol, 12,13-epoxy-, 8-(3-methylbutanoate), (3α,8α)-

Molecular Formula

C20H30O6

Molecular Mass

366.45

Cite this Page

Trichothec-9-ene-3,8,15-triol, 12,13-epoxy-, 8-(3-methylbutanoate), (3α,8α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=101401-89-2 (retrieved 2024-11-24) (CAS RN: 101401-89-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H30O6/c1-11(2)5-16(23)25-14-8-19(9-21)15(6-12(14)3)26-17-13(22)7-18(19,4)20(17)10-24-20/h6,11,13-15,17,21-22H,5,7-10H2,1-4H3/t13-,14+,15-,17-,18-,19-,20+/m1/s1

InChIKey

InChIKey=RCFUVEKOPPKTBN-HSZRPRSMSA-N

SMILES

C[C@]12[C@@]3([C@](O[C@]4([C@]1(CO)C[C@H](OC(CC(C)C)=O)C(C)=C4)[H])([C@H](O)C2)[H])CO3

Canonical SMILES

O=C(OC1C(=CC2OC3C(O)CC(C)(C43OC4)C2(CO)C1)C)CC(C)C

Other Names for this Substance

  • Trichothec-9-ene-3,8,15-triol, 12,13-epoxy-, 8-(3-methylbutanoate), (3α,8α)-
  • Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane], trichothec-9-ene-3,8,15-triol deriv.
  • Sporotrichiol

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