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Substance Name: Crassin acetate
RN: 28028-68-4
InChIKey: WMGWWFHPPNGBBT-VJEIWDKASA-N

Note

  • Principle antineoplastic agent in four gorgonians (marine invertebrates) of Pseudoplexaura genus.

Molecular Formula

  • C22-H32-O5

Molecular Weight

  • 376.49
 
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Names and Synonyms

Name of Substance

  • Crassin acetate

Synonym

  • NSC 36437

Systematic Name

  • 14-Oxabicyclo(11.3.1)heptadeca-4,8-dien-15-one, 2-(acetyloxy)-12-hydroxy-4,8,12-trimethyl-16-methylene-, (1S-(1R*,2R*,4Z,8Z,12S*,13R*))-

Registry Numbers

CAS Registry Number

  • 28028-68-4

System Generated Number

  • 0028028684

Structure Descriptors

InChI

1S/C22H32O5/c1-14-8-6-9-15(2)12-19(26-17(4)23)18-13-20(27-21(24)16(18)3)22(5,25)11-7-10-14/h9-10,18-20,25H,3,6-8,11-13H2,1-2,4-5H3/b14-10-,15-9+/t18-,19+,20-,22-/m1/s1

InChIKey

WMGWWFHPPNGBBT-VJEIWDKASA-N

Smiles

O1C(=O)C(=C)[C@@H]2[C@H](CC(C)=CCCC(=CCC[C@@]([C@@H]1C2)(O)C)C)OC(C)=O