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Acetylneosolaniol

CAS Registry Number®

65041-92-1
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CAS Name

Acetylneosolaniol

Molecular Formula

C21H28O9

Molecular Mass

424.44

Cite this Page

Acetylneosolaniol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=65041-92-1 (retrieved 2024-09-20) (CAS RN: 65041-92-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H28O9/c1-10-6-15-20(8-26-11(2)22,7-14(10)28-12(3)23)19(5)17(29-13(4)24)16(25)18(30-15)21(19)9-27-21/h6,14-18,25H,7-9H2,1-5H3/t14-,15+,16+,17+,18+,19+,20+,21-/m0/s1

InChIKey

InChIKey=BIQPSTSCCIEMEI-HXZSLLSJSA-N

SMILES

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

Canonical SMILES

O=C(OCC12CC(OC(=O)C)C(=CC2OC3C(O)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-, 4,8,15-triacetate, (3α,4β,8α)-
  • 3α-Hydroxy-4β,8α,15-triacetoxy-12,13-epoxytrichothec-9-ene
  • 8-Acetylneosolaniol
  • Neosoloaniol monoacetate
  • Acetylneosolaniol

Deleted or Replaced CAS Registry Numbers

116163-70-3