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Substance Name: Kericembrenolide D
RN: 104992-91-8
InChIKey: ZDQJJRBIBRHMDH-AXAPCXTGSA-N

Note

  • From Okinawan soft coral Clavularia koellikeri.

Molecular Formula

  • C22-H30-O5

Molecular Weight

  • 374.474
 
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Names and Synonyms

Name of Substance

  • Kericembrenolide D

Synonym

  • (3aS-(3aR*,4R*,6E,10E,12R*,14E,15aR*))-12-(Acetyloxy)-3a,4,5,8,9,12,13,15a-octahydro-4-hydroxy-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-4-hydroxy-6,10,14-trimethyl-3-methylene-, (3aS-(3aR*,4R*,6E,10E,12R*,14E,15aR*))-

Registry Numbers

CAS Registry Number

  • 104992-91-8

System Generated Number

  • 0104992918

Structure Descriptors

InChI

1S/C22H30O5/c1-13-7-6-8-14(2)11-19(24)21-16(4)22(25)27-20(21)12-15(3)10-18(9-13)26-17(5)23/h8-9,12,18-21,24H,4,6-7,10-11H2,1-3,5H3/b13-9-,14-8-,15-12-/t18-,19+,20+,21+/m1/s1

InChIKey

ZDQJJRBIBRHMDH-AXAPCXTGSA-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)O