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Substance Name: Swinholide B
RN: 132943-68-1
InChIKey: UBEMSBNKOSVIQI-NJGQGJHPSA-N

Note

  • From Okinawan marine sponge Theonella swinhoei.

Molecular Formula

  • C77-H130-O20

Molecular Weight

  • 1375.85
 
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Names and Synonyms

Name of Substance

  • Swinholide B

Systematic Name

  • Swinholide A, 16-demethyl-

Registry Numbers

CAS Registry Number

  • 132943-68-1

System Generated Number

  • 0132943681

Structure Descriptors

InChI

1S/C77H130O20/c1-45-22-28-56(78)36-59-18-16-20-61(94-59)40-67(90-14)38-58(80)39-68(81)52(8)76(54(10)74(86)47(3)26-30-63-41-65(88-12)34-49(5)92-63)96-72(84)32-24-46(2)23-29-57(79)37-60-19-17-21-62(95-60)43-71(91-15)51(7)69(82)44-70(83)53(9)77(97-73(85)33-25-45)55(11)75(87)48(4)27-31-64-42-66(89-13)35-50(6)93-64/h16-19,22-25,32-33,47-71,74-83,86-87H,20-21,26-31,34-44H2,1-15H3/b32-24-,33-25-,45-22-,46-23-

InChIKey

UBEMSBNKOSVIQI-NJGQGJHPSA-N

Smiles

C1[C@@H](C)O[C@@H](CC[C@@H](C)[C@@H]([C@@H]([C@@H]2OC(C=CC(=CC[C@@H](O)C[C@@H]3O[C@@H](C[C@@H](OC)[C@@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](OC(C=CC(=CC[C@@H](C[C@@H]4O[C@@H](C[C@@H](C[C@@H](C[C@@H]([C@@H]2C)O)O)OC)CC=C4)O)C)=O)[C@@H]([C@@H](O)[C@@H](CC[C@@H]2O[C@@H](C[C@@H](OC)C2)C)C)C)C)C)CC=C3)C)=O)C)O)C[C@@H]1OC