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Substance Name: Kericembrenolide B
RN: 104992-93-0
InChIKey: SEYWCNKTQOZEOO-DXHWKWCBSA-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 B

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 104992-93-0

System Generated Number

  • 0104992930

Structure Descriptors

InChI

1S/C22H30O4/c1-14-9-11-19-17(4)22(24)26-21(19)13-15(2)7-6-8-16(3)20(12-10-14)25-18(5)23/h8,10,13,19-21H,4,6-7,9,11-12H2,1-3,5H3/b14-10-,15-13-,16-8-/t19-,20-,21+/m1/s1

InChIKey

SEYWCNKTQOZEOO-DXHWKWCBSA-N

Smiles

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