Cyclopiazonic acid

CAS Registry Number®

18172-33-3
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CAS Name

Cyclopiazonic acid

Molecular Formula

C20H20N2O3

Molecular Mass

336.38

Cite this Page

Cyclopiazonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=18172-33-3 (retrieved 2024-04-24) (CAS RN: 18172-33-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    245-246 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,24H,7H2,1-3H3/t12-,16+,17+/m1/s1

InChIKey

InChIKey=SZINUGQCTHLQAZ-DQYPLSBCSA-N

SMILES

OC=1[C@@]2([C@]3(C=4C=5C(C[C@]3(C(C)(C)N2C(=O)C1C(C)=O)[H])=CC=CC5NC4)[H])[H]

Canonical SMILES

O=C1C(C(=O)C)=C(O)C2N1C(C)(C)C3CC=4C=CC=C5NC=C(C54)C23

Other Names for this Substance

  • 9H-Pyrrolo[1′,2′:2,3]isoindolo[4,5,6-cd]indol-9-one, 10-acetyl-2,6,6a,7,11a,11b-hexahydro-11-hydroxy-7,7-dimethyl-, (6aR,11aS,11bR)-
  • 9H-Pyrrolo[1′,2′:2,3]isoindolo[4,5,6-cd]indol-9-one, 10-acetyl-2,6,6a,7,11a,11b-hexahydro-11-hydroxy-7,7-dimethyl-, (6aα,11aβ,11bα)-
  • (6aR,11aS,11bR)-10-Acetyl-2,6,6a,7,11a,11b-hexahydro-11-hydroxy-7,7-dimethyl-9H-pyrrolo[1′,2′:2,3]isoindolo[4,5,6-cd]indol-9-one
  • α-Cyclopiazonic acid
  • Cyclopiazonic acid

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