Chem
J-GLOBAL ID：200907028292101483   Nikkaji number：J353.913J

Misakinolide A

ミサキノリドA
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： C74H128O20
Molecular formula furigana： C74-H128-O20
Molecular weight： 1337.818
InChI： InChI=1S/C74H128O20/c1-41(25-29-59-35-61(85-13)31-45(5)89-59)69(81)51(11)71-49(9)65(79)39-63(77)47(7)67(87-15)37-57-21-18-20-56(92-57)34-54(76)28-24-44(4)74(84)94-72(52(12)70(82)42(2)26-30-60-36-62(86-14)32-46(6)90-60)50(10)66(80)40-64(78)48(8)68(88-16)38-58-22-17-19-55(91-58)33-53(75)27-23-43(3)73(83)93-71/h17-20,23-24,41-42,45-72,75-82H,21-22,25-40H2,1-16H3/t41-,42-,45-,46-,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-,72-/m0/s1
InChI key： CNXAVQHYRALFDY-OMRDTYSVSA-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[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[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  (3)：
  • 2,2′,3,3′-テトラノルスウィンホリドA
  • (1R,3S,9S,10S,11S,13R,14R,15S,17S,21R,23S,29S,30S,31S,33R,34R,35S,37S)-3,11,13,23,31,33-ヘキサヒドロキシ-9,29-ビス[(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]-15,35-ジメトキシ-6,10,14,26,30,34-ヘキサメチル-8,28,41,42-テトラオキサトリシクロ[35.3.1.117,21]ドテトラコンタ-5,19,25,39-テトラエン-7,27-ジオン
  • (1R,3S,9S,10S,11S,13R,14R,15S,17S,21R,23S,29S,30S,31S,33R,34R,35S,37S)-3,11,13,23,31,33-hexahydroxy-9,29-bis[(2S,3R,4S)-3-hydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-15,35-dimethoxy-6,10,14,26,30,34-hexamethyl-8,28,41,42-tetraoxatricyclo[35.3.1.117,21]dotetraconta-5,19,25,39-tetraene-7,27-dione
Other name (5)：
  • ミサキノリドA
  • Bistheonellide A
  • Misakinolide A
  • ビステオネリドA
  • 2,2′,3,3′-Tetranorswinholide
CAS registry number： 105304-96-9
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