3,4,15-Tri-O-acetylscirpenol

CAS Registry Number®

4297-61-4
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CAS Name

3,4,15-Tri-O-acetylscirpenol

Molecular Formula

C21H28O8

Molecular Mass

408.44

Cite this Page

3,4,15-Tri-O-acetylscirpenol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4297-61-4 (retrieved 2024-04-26) (CAS RN: 4297-61-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    123-125 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H28O8/c1-11-6-7-20(9-25-12(2)22)15(8-11)29-18-16(27-13(3)23)17(28-14(4)24)19(20,5)21(18)10-26-21/h8,15-18H,6-7,9-10H2,1-5H3/t15-,16-,17-,18-,19-,20-,21+/m1/s1

InChIKey

InChIKey=YWQOKOBRSAAKTG-SUZJGXHKSA-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)CCC(C)=C4)[H])[H])CO3

Canonical SMILES

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

Other Names for this Substance

  • Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 3,4,15-triacetate, (3α,4β)-
  • Scirp-9-ene-3α,4β,15-triol, triacetate
  • Trichothec-9-ene-3α,4β,15-triol, 12,13-epoxy-, triacetate
  • Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, triacetate, (3α,4β)-
  • Scirpene-3α,4β,15-triyl triacetate

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Deleted or Replaced CAS Registry Numbers

125597-46-8, 22135-67-7, 233593-17-4

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