Chem
J-GLOBAL ID：200907076184260650   Nikkaji number：J353.911C

Swinholide C

スウィンホリドC
Substance type：
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
Molecular formula： C77H130O20
Molecular formula furigana： C77-H130-O20
Molecular weight： 1375.867
InChI： InChI=1S/C77H130O20/c1-44-22-28-56(78)36-59-19-17-21-62(95-59)41-71(91-15)51(8)67(82)43-69(84)53(10)77(55(12)75(88)47(4)27-31-64-39-65(89-13)35-49(6)93-64)97-73(86)33-25-45(2)23-29-57(79)37-60-18-16-20-61(94-60)40-70(90-14)50(7)66(81)42-68(83)52(9)76(96-72(85)32-24-44)54(11)74(87)46(3)26-30-63-38-58(80)34-48(5)92-63/h16-19,22-25,32-33,46-71,74-84,87-88H,20-21,26-31,34-43H2,1-15H3/t46-,47-,48-,49-,50+,51+,52-,53-,54-,55-,56-,57-,58+,59-,60-,61-,62-,63-,64-,65+,66+,67+,68-,69-,70-,71-,74+,75+,76-,77-/m0/s1
InChI key： KHVNUSQFQXCPIZ-UFQVRHNWSA-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](O)C[C@H](C)O2)C)C1
Systematic name  (3)：
  • 29-O-デメチルスウィンホリドA
  • (1R,3S,11S,12S,13S,15R,16R,17S,19S,23R,25S,33S,34S,35S,37R,38R,39S,41S)-3,13,15,25,35,37-ヘキサヒドロキシ-11-[(2S,3R,4S)-3-ヒドロキシ-6-[(2S,4R,6S)-4-ヒドロキシ-6-メチルオキサン-2-イル]-4-メチルヘキサン-2-イル]-33-[(2S,3R,4S)-3-ヒドロキシ-6-[(2S,4R,6S)-4-メトキシ-6-メチルオキサン-2-イル]-4-メチルヘキサン-2-イル]-17,39-ジメトキシ-6,12,16,28,34,38-ヘキサメチル-10,32,45,46-テトラオキサトリシクロ[39.3.1.119,23]ヘキサテトラコンタ-5,7,21,27,29,43-ヘキサエン-9,31-ジオン
  • (1R,3S,11S,12S,13S,15R,16R,17S,19S,23R,25S,33S,34S,35S,37R,38R,39S,41S)-3,13,15,25,35,37-hexahydroxy-11-[(2S,3R,4S)-3-hydroxy-6-[(2S,4R,6S)-4-hydroxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-33-[(2S,3R,4S)-3-hydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.119,23]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione
Other name (3)：
  • スウィンホリドC
  • Swinholide C
  • 29-O-Demethylswinholide A
CAS registry number： 132923-51-4
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