Diacetoxyscirpenol

CAS Registry Number®

2270-40-8
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CAS Name

Diacetoxyscirpenol

Molecular Formula

C19H26O7

Molecular Mass

366.41

Cite this Page

Diacetoxyscirpenol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=2270-40-8 (retrieved 2024-04-19) (CAS RN: 2270-40-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    161-162 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3/t13-,14-,15-,16-,17-,18-,19+/m1/s1

InChIKey

InChIKey=AUGQEEXBDZWUJY-NMAPUUFXSA-N

SMILES

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

Canonical SMILES

O=C(OCC12CCC(=CC2OC3C(O)C(OC(=O)C)C1(C)C43OC4)C)C

Other Names for this Substance

  • Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 4,15-diacetate, (3α,4β)-
  • Trichothec-9-ene-3α,4β,15-triol, 12,13-epoxy-, 4,15-diacetate
  • Anguidin
  • Diacetoxyscirpenol
  • 4β,15-Diacetoxy-12,13-epoxytrichothec-9-en-3α-ol

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Deleted or Replaced CAS Registry Numbers

11011-10-2, 22135-66-6, 25662-95-7, 28776-47-8, 109547-11-7, 145427-91-4, 852223-87-1, 2446429-25-8

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