Trichothec-9-ene-3,7,8,15-tetrol, 12,13-epoxy-, 3,15-diacetate, (3α,7α,8α)-

CAS Registry Number®

95673-99-7

CAS Name

Trichothec-9-ene-3,7,8,15-tetrol, 12,13-epoxy-, 3,15-diacetate, (3α,7α,8α)-

Molecular Formula

C19H26O8

Molecular Mass

382.40

Cite this Page

Trichothec-9-ene-3,7,8,15-tetrol, 12,13-epoxy-, 3,15-diacetate, (3α,7α,8α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=95673-99-7 (retrieved 2024-11-25) (CAS RN: 95673-99-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H26O8/c1-9-5-13-18(7-24-10(2)20,15(23)14(9)22)17(4)6-12(26-11(3)21)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3/t12-,13-,14-,15-,16-,17-,18-,19+/m1/s1

InChIKey

InChIKey=JSKXQQKSUOVSKS-MAORFSPBSA-N

SMILES

C[C@@]12[C@@]3([C@@]([C@H](OC(C)=O)C1)(O[C@]4([C@]2(COC(C)=O)[C@H](O)[C@H](O)C(C)=C4)[H])[H])CO3

Canonical SMILES

O=C(OCC12C(OC3C(OC(=O)C)CC1(C)C43OC4)C=C(C)C(O)C2O)C

Other Names for this Substance

  • Trichothec-9-ene-3,7,8,15-tetrol, 12,13-epoxy-, 3,15-diacetate, (3α,7α,8α)-
  • Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane], trichothec-9-ene-3,7,8,15-tetrol deriv.
  • 7,8-Dihydroxycalonectrin
  • EN 139532

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