15-Deacetylneosolaniol

CAS Registry Number®

76348-84-0
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CAS Name

15-Deacetylneosolaniol

Molecular Formula

C17H24O7

Molecular Mass

340.37

Cite this Page

15-Deacetylneosolaniol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76348-84-0 (retrieved 2024-05-21) (CAS RN: 76348-84-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    163-164 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C17H24O7/c1-8-4-11-16(6-18,5-10(8)20)15(3)13(23-9(2)19)12(21)14(24-11)17(15)7-22-17/h4,10-14,18,20-21H,5-7H2,1-3H3/t10-,11+,12+,13+,14+,15+,16+,17-/m0/s1

InChIKey

InChIKey=CSYVMZMEBKUDRQ-BNWDXEGFSA-N

SMILES

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

Canonical SMILES

O=C(OC1C(O)C2OC3C=C(C)C(O)CC3(CO)C1(C)C42OC4)C

Other Names for this Substance

  • Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4-acetate, (3α,4β,8α)-
  • Toxin NT 2
  • 15-Deacetylneosolaniol
  • 4-Acetoxy T-2 tetraol
  • MHT 2

Deleted or Replaced CAS Registry Numbers

97373-19-8

CAS INSIGHTSTM
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