Radicicol

CAS Registry Number®

12772-57-5
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CAS Name

Radicicol

Molecular Formula

C18H17ClO6

Molecular Mass

364.78

Cite this Page

Radicicol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=12772-57-5 (retrieved 2024-04-26) (CAS RN: 12772-57-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    193.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2-,5-3+/t9-,14-,15-/m1/s1

InChIKey

InChIKey=WYZWZEOGROVVHK-VVZWKAEDSA-N

SMILES

OC1=C2C(=C(Cl)C(O)=C1)CC(=O)/C=C\C=C\[C@@]3([C@@](C[C@@H](C)OC2=O)(O3)[H])[H]

Canonical SMILES

O=C1OC(C)CC2OC2C=CC=CC(=O)CC=3C(Cl)=C(O)C=C(O)C13

Other Names for this Substance

  • 6H-Oxireno[e][2]benzoxacyclotetradecin-6,12(7H)-dione, 8-chloro-1a,14,15,15a-tetrahydro-9,11-dihydroxy-14-methyl-, (1aR,2Z,4E,14R,15aR)-
  • Radicicol
  • β-Resorcylic acid, 5-chloro-6-(7,8-epoxy-10-hydroxy-2-oxo-3,5-undecadienyl)-, μ-lactone
  • (1aR,2Z,4E,14R,15aR)-8-Chloro-1a,14,15,15a-tetrahydro-9,11-dihydroxy-14-methyl-6H-oxireno[e][2]benzoxacyclotetradecin-6,12(7H)-dione
  • Monorden

View All

Deleted or Replaced CAS Registry Numbers

5137-90-6, 11021-61-7, 957231-40-2

CAS INSIGHTSTM
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