4,15-Diacetylverrucarol

CAS Registry Number®

2198-94-9

CAS Name

4,15-Diacetylverrucarol

Molecular Formula

C19H26O6

Molecular Mass

350.41

Cite this Page

4,15-Diacetylverrucarol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2198-94-9 (retrieved 2024-12-02) (CAS RN: 2198-94-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    148-150 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H26O6/c1-11-5-6-18(9-22-12(2)20)15(7-11)25-16-8-14(24-13(3)21)17(18,4)19(16)10-23-19/h7,14-16H,5-6,8-10H2,1-4H3/t14-,15-,16-,17-,18-,19+/m1/s1

InChIKey

InChIKey=CVJVDRZXGYXIET-UPGMHYFXSA-N

SMILES

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

Canonical SMILES

O=C(OCC12CCC(=CC2OC3CC(OC(=O)C)C1(C)C43OC4)C)C

Other Names for this Substance

  • Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4,15-diacetate, (4β)-
  • Trichothec-9-ene-4β,15-diol, 12,13-epoxy-, diacetate
  • Trichothec-9-ene-4,15-diol, 12,13-epoxy-, diacetate, (4β)-
  • Verrucarol, diacetate
  • Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane], trichothec-9-ene-4,15-diol deriv.

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Deleted or Replaced CAS Registry Numbers

233593-18-5

CAS INSIGHTSTM
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