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Substance Name: Kericembrenolide A
RN: 104992-94-1
InChIKey: QPGQFHSQSJTROZ-ZRGOFDNFSA-N

Note

  • From Okinawan soft coral Clavularia koellikeri.

Molecular Formula

  • C22-H30-O4

Molecular Weight

  • 358.475
 
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Names and Synonyms

Name of Substance

  • Kericembrenolide A

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 104992-94-1

System Generated Number

  • 0104992941

Structure Descriptors

InChI

1S/C22H30O4/c1-14-7-6-8-15(2)11-19(25-18(5)23)12-16(3)13-21-20(10-9-14)17(4)22(24)26-21/h7,11,13,19-21H,4,6,8-10,12H2,1-3,5H3/b14-7-,15-11-,16-13-/t19-,20-,21+/m1/s1

InChIKey

QPGQFHSQSJTROZ-ZRGOFDNFSA-N

Smiles

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