Chem
J-GLOBAL ID：200907024358551943   Nikkaji number：J930.037F

Discodermide

ジスコデルミド
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： C27H34N2O6
Molecular formula furigana： C27-H34-N2-O6
Molecular weight： 482.577
InChI： InChI=1S/C27H34N2O6/c1-12-21-15-7-5-13-6-8-18(30)22-24(33)23(29-27(22)34)19(31)9-10-28-20(32)4-2-3-14(13)16(15)11-17(21)26-25(12)35-26/h2,4,6,8,12-17,19,21,23,25-26,29,31,34H,3,5,7,9-11H2,1H3,(H,28,32)/b4-2-,8-6+/t12-,13-,14-,15+,16-,17-,19?,21+,23?,25+,26-/m0/s1
InChI key： FDWNTCRVFCCYKL-QAFIMMFMSA-N
SMILES： C[C@@H]1[C@H]2O[C@H]2[C@H]2C[C@@H]3[C@@H](CC[C@H]4/C=C/C(=O)C5=C(O)NC(C(O)CCNC(=O)/C=C\C[C@H]34)C5=O)[C@@H]12
Systematic name  (3)：
  • (2Z,14E,15aS)-8,11-ジヒドロキシ-18α-メチル-5,6,7,8,9,10,15aβ,16,17,17aα,17bα,18,18aα,19aα,19bα,20,20aα,20bα-オクタデカヒドロ-9,12-メタノ-1H-オキシレノ[4,5]ペンタレノ[1,2-s]-5,10-ベンゾジアザシクロヘプタデシン-4,13,21-トリオン
  • (3E,5S,8R,9S,10S,11R,13S,14S,16S,17S,19Z)-25,28-ジヒドロキシ-10-メチル-12-オキサ-22,27-ジアザヘキサシクロ[24.2.1.05,17.08,16.09,14.011,13]ノナコサ-1(28),3,19-トリエン-2,21,29-トリオン
  • (3E,5S,8R,9S,10S,11R,13S,14S,16S,17S,19Z)-25,28-dihydroxy-10-methyl-12-oxa-22,27-diazahexacyclo[24.2.1.05,17.08,16.09,14.011,13]nonacosa-1(28),3,19-triene-2,21,29-trione
Other name (3)：
  • ジスコデルミド
  • (2Z,14E,15aS)-8,11-Dihydroxy-18α-methyl-5,6,7,8,9,10,15aβ,16,17,17aα,17bα,18,18aα,19aα,19bα,20,20aα,20bα-octadecahydro-9,12-methano-1H-oxireno[4,5]pentaleno[1,2-s]-5,10-benzodiazacycloheptadecine-4,13,21-trione
  • Discodermide
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