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Substance Name: Kericembrenolide C
RN: 104992-92-9
InChIKey: GBKNBSOFIBRPBO-OQGHAVHMSA-N

Note

  • From Okinawan soft coral Clavularia koellikeri.

Molecular Formula

  • C24-H32-O6

Molecular Weight

  • 416.511
 
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Names and Synonyms

Name of Substance

  • Kericembrenolide C

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 104992-92-9

System Generated Number

  • 0104992929

Structure Descriptors

InChI

1S/C24H32O6/c1-14-8-7-9-15(2)12-21(29-19(6)26)23-17(4)24(27)30-22(23)13-16(3)11-20(10-14)28-18(5)25/h9-10,13,20-23H,4,7-8,11-12H2,1-3,5-6H3/b14-10-,15-9-,16-13-/t20-,21+,22+,23+/m0/s1

InChIKey

GBKNBSOFIBRPBO-OQGHAVHMSA-N

Smiles

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