Acetyl toxin T 2

CAS Registry Number®

21259-21-2

CAS Name

Acetyl toxin T 2

Molecular Formula

C26H36O10

Molecular Mass

508.56

Cite this Page

Acetyl toxin T 2.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21259-21-2 (retrieved 2024-11-22) (CAS RN: 21259-21-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H36O10/c1-13(2)8-20(30)35-18-10-25(11-31-15(4)27)19(9-14(18)3)36-23-21(33-16(5)28)22(34-17(6)29)24(25,7)26(23)12-32-26/h9,13,18-19,21-23H,8,10-12H2,1-7H3/t18-,19+,21+,22+,23+,24+,25+,26-/m0/s1

InChIKey

InChIKey=NOTOVTQRFFVBSB-VZPCOZJFSA-N

SMILES

C[C@@]12[C@@]3([C@@]([C@H](OC(C)=O)[C@H]1OC(C)=O)(O[C@]4([C@]2(COC(C)=O)C[C@H](OC(CC(C)C)=O)C(C)=C4)[H])[H])CO3

Canonical SMILES

O=C(OCC12CC(OC(=O)CC(C)C)C(=CC2OC3C(OC(=O)C)C(OC(=O)C)C1(C)C43OC4)C)C

Other Names for this Substance

  • Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 3,4,15-triacetate 8-(3-methylbutanoate), (3α,4β,8α)-
  • Trichothec-9-ene-3α,4β,8α,15-tetrol, 12,13-epoxy-, 3,4,15-triacetate isovalerate
  • Isovaleric acid, ester with 12,13-epoxytrichothec-9-ene-3α,4β,8α,15-tetrol 3,4,15-triacetate
  • Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane], trichothec-9-ene-3,4,8,15-tetrol deriv.
  • T-2 Acetate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration