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Substance Name: 12-Oxocalanolide
RN: 161753-49-7
InChIKey: HQVBDUZROQMWRN-VXGBXAGGSA-N

Molecular Formula

  • C22-H24-O5

Molecular Weight

  • 368.4266
 
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Names and Synonyms

Results Name

  • 12-Oxocalanolide

Synonyms

  • (+-)-12-Oxocalanolide A
  • 12-Oxocalanolide

Systematic Name

  • 2H,6H,12H-Benzo(1,2-b:3,4-b':5,6-b'')tripyran-2,12-dione, 10,11-dihydro-6,6,10,11-tetramethyl-4-propyl-, (10R,11R)-rel-

Registry Numbers

CAS Registry Number

  • 161753-49-7

Other Registry Number

  • 151005-67-3

System Generated Number

  • 0161753497

Structure Descriptors

InChI

1S/C22H24O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12H,6-7H2,1-5H3/t11-,12-/m1/s1

InChIKey

HQVBDUZROQMWRN-VXGBXAGGSA-N

Smiles

CCCC1=CC(=O)Oc2c1c3OC(C)(C)C=Cc3c4O[C@H](C)[C@@H](C)C(=O)c24