Deguelin

CAS Registry Number®

522-17-8

CAS Name

Deguelin

Molecular Formula

C23H22O6

Molecular Mass

394.42

Cite this Page

Deguelin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=522-17-8 (retrieved 2024-11-21) (CAS RN: 522-17-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    171 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m1/s1

InChIKey

InChIKey=ORDAZKGHSNRHTD-UXHICEINSA-N

SMILES

O=C1C=2C(=C3C(=CC2)OC(C)(C)C=C3)O[C@]4([C@@]1(C=5C(OC4)=CC(OC)=C(OC)C5)[H])[H]

Canonical SMILES

O=C1C2=CC=C3OC(C=CC3=C2OC4COC5=CC(OC)=C(OC)C=C5C14)(C)C

Other Names for this Substance

  • 3H-Bis[1]benzopyrano[3,4-b:6′,5′-e]pyran-7(7aH)-one, 13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-, (7aS,13aS)-
  • Deguelin
  • 3H-Bis[1]benzopyrano[3,4-b:6′,5′-e]pyran-7(7aH)-one, 13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-
  • 3H-Bis[1]benzopyrano[3,4-b:6′,5′-e]pyran-7(7aH)-one, 13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-, (7aS-cis)-
  • (7aS,13aS)-13,13a-Dihydro-9,10-dimethoxy-3,3-dimethyl-3H-bis[1]benzopyrano[3,4-b:6′,5′-e]pyran-7(7aH)-one

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Deleted or Replaced CAS Registry Numbers

22030-11-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration