Neosolaniol

CAS Registry Number®

36519-25-2
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CAS Name

Neosolaniol

Molecular Formula

C19H26O8

Molecular Mass

382.40

Cite this Page

Neosolaniol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=36519-25-2 (retrieved 2024-04-26) (CAS RN: 36519-25-2).  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(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)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-/m0/s1

InChIKey

InChIKey=TVZHDVCTOCZDNE-WVJYZQHISA-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](O)C(C)=C4)[H])[H])CO3

Canonical SMILES

O=C(OCC12CC(O)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-, 4,15-diacetate, (3α,4β,8α)-
  • Neosolaniol
  • Solaniol (sesquiterpene)
  • Solaniol
  • Neozolaniol

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Deleted or Replaced CAS Registry Numbers

35320-66-2, 38738-57-7, 145427-90-3

CAS INSIGHTSTM
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