Cyclopiazonic acid

CAS Registry Number®

83136-88-3
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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/detail?cas_rn=83136-88-3 (retrieved 2024-08-20) (CAS RN: 83136-88-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    238-242 °C

Source(s)

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/h4-6,8,12,16-17,21,23H,7H2,1-3H3/b14-9-/t12-,16+,17+/m1/s1

InChIKey

InChIKey=CNZIQHGDUXRUJS-PTNHGACKSA-N

SMILES

O=C/1[C@@]2([C@]3(C=4C=5C(C[C@]3(C(C)(C)N2C(=O)\C1=C(\C)/O)[H])=CC=CC5NC4)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • 6H-Pyrrolo[1′,2′:2,3]isoindolo[4,5,6-cd]indole-9,11(2H,7H)-dione, 6a,10,11a,11b-tetrahydro-10-(1-hydroxyethylidene)-7,7-dimethyl-, (6aR,10Z,11aS,11bR)-
  • 6H-Pyrrolo[1′,2′:2,3]isoindolo[4,5,6-cd]indole-9,11(2H,10H)-dione, 6a,7,11a,11b-tetrahydro-10-(1-hydroxyethylidene)-7,7-dimethyl-, (6aα,10Z,11aβ,11bα)-
  • 6H-Pyrrolo[1′,2′:2,3]isoindolo[4,5,6-cd]indole-9,11(2H,10H)-dione, 6a,7,11a,11b-tetrahydro-10-(1-hydroxyethylidene)-7,7-dimethyl-, (6aR,10Z,11aS,11bR)-rel-
  • (6aR,10Z,11aS,11bR)-6a,10,11a,11b-Tetrahydro-10-(1-hydroxyethylidene)-7,7-dimethyl-6H-pyrrolo[1′,2′:2,3]isoindolo[4,5,6-cd]indole-9,11(2H,7H)-dione
  • α-Cyclopiazonic acid

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Deleted or Replaced CAS Registry Numbers

98718-32-2