Cyanobacterin

CAS Registry Number®

80902-00-7
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CAS Name

Cyanobacterin

Molecular Formula

C23H23ClO6

Molecular Mass

430.88

Cite this Page

Cyanobacterin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80902-00-7 (retrieved 2024-03-28) (CAS RN: 80902-00-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H23ClO6/c1-13(2)23(26)17(8-15-9-18(24)21-19(10-15)28-12-29-21)22(25)30-20(23)11-14-4-6-16(27-3)7-5-14/h4-7,9-11,13,17,26H,8,12H2,1-3H3/b20-11-/t17-,23+/m0/s1

InChIKey

InChIKey=YYPUQBCQRSMSKU-YLBRSAIOSA-N

SMILES

C(C)(C)[C@@]\1(O)[C@@H](CC=2C=C3C(=C(Cl)C2)OCO3)C(=O)O/C1=C\C4=CC=C(OC)C=C4

Canonical SMILES

O=C1OC(=CC2=CC=C(OC)C=C2)C(O)(C1CC3=CC(Cl)=C4OCOC4=C3)C(C)C

Other Names for this Substance

  • L-threo-Pent-4-enonic acid, 2-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2,5-dideoxy-5-(4-methoxyphenyl)-3-C-(1-methylethyl)-, γ-lactone, (4Z)-
  • 2(3H)-Furanone, 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]dihydro-4-hydroxy-5-[(4-methoxyphenyl)methylene]-4-(1-methylethyl)-, (3R,4R,5Z)-
  • Cyanobacterin

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