Scirpentriol

CAS Registry Number®

2270-41-9
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CAS Name

Scirpentriol

Molecular Formula

C15H22O5

Molecular Mass

282.33

Cite this Page

Scirpentriol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2270-41-9 (retrieved 2024-05-18) (CAS RN: 2270-41-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    167-170 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H22O5/c1-8-3-4-14(6-16)9(5-8)20-12-10(17)11(18)13(14,2)15(12)7-19-15/h5,9-12,16-18H,3-4,6-7H2,1-2H3/t9-,10-,11-,12-,13-,14-,15+/m1/s1

InChIKey

InChIKey=PXEBOIUZEXXBGH-HRJXPNSYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, (3α,4β)-
  • Trichothec-9-ene-3α,4β,15-triol, 12,13-epoxy-
  • Anguidol
  • Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane], trichothec-9-ene-3,4,15-triol deriv.
  • (3α,4β)-12,13-Epoxytrichothec-9-ene-3,4,15-triol

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Deleted or Replaced CAS Registry Numbers

22135-68-8, 145427-89-0

CAS INSIGHTSTM
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