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Substance Name: Swinholide A
RN: 95927-67-6
InChIKey: RJVBVECTCMRNFG-AVGPAGKCSA-N

Note

  • From Okinawan marine sponge Theonella swinhoei.

Molecular Formula

  • C78-H132-O20

Molecular Weight

  • 1389.88
 
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Names and Synonyms

Name of Substance

  • Swinholide A

Systematic Name

  • Swinholide A

Registry Numbers

CAS Registry Number

  • 95927-67-6

System Generated Number

  • 0095927676

Structure Descriptors

InChI

1S/C78H132O20/c1-45-23-29-57(79)37-59-19-17-21-61(95-59)41-71(91-15)52(8)68(82)44-70(84)54(10)78(56(12)76(88)48(4)28-32-64-40-66(90-14)36-50(6)94-64)98-74(86)34-26-46(2)24-30-58(80)38-60-20-18-22-62(96-60)42-72(92-16)51(7)67(81)43-69(83)53(9)77(97-73(85)33-25-45)55(11)75(87)47(3)27-31-63-39-65(89-13)35-49(5)93-63/h17-20,23-26,33-34,47-72,75-84,87-88H,21-22,27-32,35-44H2,1-16H3/b33-25+,34-26+,45-23+,46-24+/t47-,48-,49-,50-,51-,52-,53-,54?,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65+,66+,67-,68-,69+,70+,71-,72-,75-,76-,77-,78-/m0/s1

InChIKey

RJVBVECTCMRNFG-AVGPAGKCSA-N

Smiles

O1C(C=CC(=CC[C@@H](C[C@H]2O[C@H](C[C@@H]([C@H]([C@H](C[C@H]([C@@H]([C@@H]([C@H]([C@H]([C@H](CC[C@@H]3O[C@@H](C)C[C@H](C3)OC)C)O)C)OC(C=CC(=CC[C@@H](C[C@H]3O[C@H](C[C@@H]([C@H]([C@H](C[C@H]([C@@H]([C@H]1[C@H]([C@H]([C@H](CC[C@@H]1O[C@@H](C)C[C@H](C1)OC)C)O)C)C)O)O)C)OC)CC=C3)O)C)=O)C)O)O)C)OC)CC=C2)O)C)=O