Chem
J-GLOBAL ID：200907068570084864
Nikkaji number：J248.157J
Swinholide A
スウィンホリドA
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C78H132O20
Molecular formula furigana： C78-H132-O20
Molecular weight： 1389.894
InChI：
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/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
InChI key：
RJVBVECTCMRNFG-LAFGKJLBSA-N
SMILES：
CO[C@@H]1C[C@H](C)O[C@@H](CC[C@H](C)[C@@H](O)[C@H](C)[C@H]2OC(=O)C=CC(=CC[C@H](O)C[C@H]3O[C@@H](CC=C3)C[C@H](OC)[C@H](C)[C@H](O)C[C@H](O)[C@H](C)[C@H](OC(=O)C=CC(=CC[C@H](O)C[C@H]3O[C@@H](CC=C3)C[C@H](OC)[C@H](C)[C@H](O)C[C@H](O)[C@@H]2C)C)[C@@H](C)[C@H](O)[C@@H](C)CC[C@H]2C[C@@H](C[C@H](C)O2)OC)C)C1
Systematic name (1)：
- スウィンホリドA
- Swinholide A
Thsaurus map：
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