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Substance Name: Isospongiaquinone
RN: 69672-66-8
InChIKey: LKNAVZKSKJJHQH-UHFFFAOYSA-N

Note

  • From marine sponge Spongia hispida.

Molecular Formula

  • C22-H30-O4

Molecular Weight

  • 358.475
 
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Names and Synonyms

Name of Substance

  • Isospongiaquinone

Synonym

  • 5-epi-Isospongiaquinone

Systematic Name

  • 2,5-Cyclohexadiene-1.4-dione, 2-hydroxy-5-methoxy-3-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-

Registry Numbers

CAS Registry Number

  • 69672-66-8

System Generated Number

  • 0069672668

Structure Descriptors

InChI

1S/C22H30O4/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-19(24)16(23)11-17(26-5)20(15)25/h7,11,14,18,24H,6,8-10,12H2,1-5H3

InChIKey

LKNAVZKSKJJHQH-UHFFFAOYSA-N

Smiles

C1(C(=C(C(C(=C1)OC)=O)C[C@@]1([C@@H](CC[C@@]2(C(=CCC[C@@H]12)C)C)C)C)O)=O