Diacetylneosolaniol

CAS Registry Number®

65725-06-6
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CAS Name

Diacetylneosolaniol

Molecular Formula

C23H30O10

Molecular Mass

466.48

Cite this Page

Diacetylneosolaniol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=65725-06-6 (retrieved 2024-05-04) (CAS RN: 65725-06-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H30O10/c1-11-7-17-22(9-28-12(2)24,8-16(11)30-13(3)25)21(6)19(32-15(5)27)18(31-14(4)26)20(33-17)23(21)10-29-23/h7,16-20H,8-10H2,1-6H3/t16-,17+,18+,19+,20+,21+,22+,23-/m0/s1

InChIKey

InChIKey=GSLBJZJTYRGQOS-BHWGPCQFSA-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(C)=O)C(C)=C4)[H])[H])CO3

Canonical SMILES

O=C(OCC12CC(OC(=O)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-, 3,4,8,15-tetraacetate, (3α,4β,8α)-
  • Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, tetraacetate, (3α,4β,8α)-
  • Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane], trichothec-9-ene-3,4,8,15-tetrol deriv.
  • Neosolaniol diacetate
  • Tetraacetoxyscirpene

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Deleted or Replaced CAS Registry Numbers

100930-14-1, 116163-78-1

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