Chem
J-GLOBAL ID：200907009091384806   Nikkaji number：J1.198.889J

(21β)-7-O-[4-[[(1H-Pyrrole-2-yl)carbonyl]amino]-2,4,6-trideoxy-β-D-glucopyranosyl]-6α,16,18α,28,31-pentamethyl-13,14-didehydro-2,25-carbonyl-25-des(formyloxy)-1,2-secochlorothricolide

(21β)-7-O-[4-[[(1H-ピロール-2-イル)カルボニル]アミノ]-2,4,6-トリデオキシ-β-D-グルコピラノシル]-6α,16,18α,28,31-ペンタメチル-13,14-ジデヒドロ-2,25-カルボニル-25-デス(ホルミルオキシ)-1,2-セコクロロトリコリド
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： C45H58N2O10
Molecular formula furigana： C45-H58-N2-O10
Molecular weight： 786.963
InChI： InChI=1S/C45H58N2O10/c1-7-27-22-45-39(50)35(42(54)57-45)38(49)44(8-2)28(13-10-9-12-24(3)21-43(45,6)23-30(27)41(52)53)16-17-29-31(44)18-15-25(4)37(29)56-34-20-33(48)36(26(5)55-34)47-40(51)32-14-11-19-46-32/h9-11,14,16-17,19,21,23,25-29,31,33-34,36-37,46,48,50H,7-8,12-13,15,18,20,22H2,1-6H3,(H,47,51)(H,52,53)/t25-,26+,27-,28+,29-,31+,33+,34-,36+,37-,43-,44+,45+/m0/s1
InChI key： NRUCPGYQLFZCPJ-KTVLYWANSA-N
SMILES： CC[C@H]1C[C@@]23OC(=O)C(=C2O)C(=O)[C@]2(CC)[C@H](CC=CCC(=C[C@@]3(C)C=C1C(=O)O)C)C=C[C@@H]1[C@@H](O[C@H]3C[C@@H](O)[C@H](NC(=O)c4ccc[nH]4)[C@@H](C)O3)[C@@H](C)CC[C@@H]21
Systematic name  (3)：
  • (21β)-7-O-[4-[[(1H-ピロール-2-イル)カルボニル]アミノ]-2,4,6-トリデオキシ-β-D-グルコピラノシル]-6α,16,18α,28,31-ペンタメチル-13,14-ジデヒドロ-2,25-カルボニル-25-デス(ホルミルオキシ)-1,2-セコクロロトリコリド
  • (1S,3S,6S,13R,16S,17S,18S,21R,22R)-3,22-ジエチル-27-ヒドロキシ-17-{[(2R,4R,5S,6R)-4-ヒドロキシ-6-メチル-5-(1H-ピロール-2-アミド)オキサン-2-イル]オキシ}-6,8,18-トリメチル-23,25-ジオキソ-26-オキサペンタシクロ[22.2.1.01,6.013,22.016,21]ヘプタコサ-4,7,10,14,24(27)-ペンタエン-4-カルボン酸
  • (1S,3S,6S,13R,16S,17S,18S,21R,22R)-3,22-diethyl-27-hydroxy-17-{[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-(1H-pyrrole-2-amido)oxan-2-yl]oxy}-6,8,18-trimethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,10,14,24(27)-pentaene-4-carboxylic acid
Other name (1)：
  • (21β)-7-O-[4-[[(1H-Pyrrole-2-yl)carbonyl]amino]-2,4,6-trideoxy-β-D-glucopyranosyl]-6α,16,18α,28,31-pentamethyl-13,14-didehydro-2,25-carbonyl-25-des(formyloxy)-1,2-secochlorothricolide
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