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Substance Name: Kericembrenolide E
RN: 104992-90-7
InChIKey: KKAPMISEUVNCQQ-WOPUYNPLSA-N

Note

  • From Okinawan soft coral Clavularis koellikeri.

Molecular Formula

  • C20-H28-O4

Molecular Weight

  • 332.437
 
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Names and Synonyms

Name of Substance

  • Kericembrenolide E

Synonym

  • (3aS-(3aR*,4R*,6E,10E,12R*,14E,15aR*))-3a,4,5,8,9,12,13,15a-Octahydro-4,12-dihydroxy-6,10,14-trimethyl-3-methylenecyclotetradeca(b)furan-2(3H)-one

Systematic Name

  • Cyclotetradeca(b)furan-2(3H)-one, 3a,4,5,8,9,12,13,15a-octahydro-4,12-dihydroxy-6,10,14-trimethyl-3-methylene-, (3aS-(3aR*,4R*,6E,10E,12R*,14E,15aR*))-

Registry Numbers

CAS Registry Number

  • 104992-90-7

System Generated Number

  • 0104992907

Structure Descriptors

InChI

1S/C20H28O4/c1-12-6-5-7-13(2)10-17(22)19-15(4)20(23)24-18(19)11-14(3)9-16(21)8-12/h7-8,11,16-19,21-22H,4-6,9-10H2,1-3H3/b12-8-,13-7-,14-11-/t16-,17+,18+,19+/m1/s1

InChIKey

KKAPMISEUVNCQQ-WOPUYNPLSA-N

Smiles

O1[C@@H]2[C@@H](C(C1=O)=C)[C@H](CC(=CCCC(=C[C@H](CC(=C2)C)O)C)C)O