Crotepoxide

CAS Registry Number®

20421-13-0
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CAS Name

Crotepoxide

Molecular Formula

C18H18O8

Molecular Mass

362.33

Cite this Page

Crotepoxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20421-13-0 (retrieved 2024-09-07) (CAS RN: 20421-13-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    153 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H18O8/c1-9(19)23-13-12-14(25-12)16-18(26-16,15(13)24-10(2)20)8-22-17(21)11-6-4-3-5-7-11/h3-7,12-16H,8H2,1-2H3/t12-,13-,14-,15+,16-,18+/m1/s1

InChIKey

InChIKey=ASAWUXMEXFAFMU-DBDULZNHSA-N

SMILES

C(OC(=O)C1=CC=CC=C1)[C@]23[C@](O2)([C@]4([C@@]([C@@H](OC(C)=O)[C@@H]3OC(C)=O)(O4)[H])[H])[H]

Canonical SMILES

O=C(OCC12OC2C3OC3C(OC(=O)C)C1OC(=O)C)C=4C=CC=CC4

Other Names for this Substance

  • D-epi-Inositol, 2,3:4,5-dianhydro-2-C-[(benzoyloxy)methyl]-, 1,6-diacetate
  • D-epi-Inositol, 2,3:4,5-dianhydro-2-C-[(benzoyloxy)methyl]-, diacetate
  • 3,8-Dioxatricyclo[5.1.0.02,4]octane, D-epi-inositol deriv.
  • Crotepoxide
  • Futoxide

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Deleted or Replaced CAS Registry Numbers

21887-30-9, 28993-88-6