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Substance Name: Isochromophilone IIb
RN: 154037-53-3
InChIKey: GWPINGGHIUCZQZ-BFSBODJASA-N

Molecular Formula

  • C22-H27-Cl-O4

Molecular Weight

  • 781.8086
 
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Names and Synonyms

Results Name

  • Isochromophilone IIb

Synonym

  • Isochromophilone IIb

Systematic Names

  • 6H-2-Benzopyran-6-one, 5-chloro-3-((1E,3Z,5S)-3,5-dimethyl-1,3-heptadienyl)-7,8-dihydro-7-hydroxy-7-methyl-8-(2-oxopropyl)-, (7R,8R)-
  • 6H-2-Benzopyran-6-one, 5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-7,8-dihydro-7-hydroxy-7-methyl-8-(2-oxopropyl)-, (7R-(3(1E,3Z,5S*),7alpha,8alpha))-

Registry Numbers

CAS Registry Number

  • 154037-53-3

System Generated Number

  • 0154037533

Structure Descriptors

InChI

1S/2C22H27ClO4/c2*1-6-13(2)9-14(3)7-8-16-11-17-18(12-27-16)19(10-15(4)24)22(5,26)21(25)20(17)23/h2*7-9,11-13,19,26H,6,10H2,1-5H3/b8-7+,14-9+;8-7+,14-9-/t2*13-,19+,22+/m00/s1

InChIKey

GWPINGGHIUCZQZ-BFSBODJASA-N

Smiles

C1(=O)[C@@]([C@@H](C2=COC(=CC2=C1Cl)/C=C/C(=C/[C@H](CC)C)/C)CC(=O)C)(O)C.C1(=O)[C@@]([C@@H](C2=COC(=CC2=C1Cl)/C=C/C(=C\[C@@H](C)CC)C)CC(=O)C)(O)C