Chem
J-GLOBAL ID:200907048713215956   Nikkaji number:J1.517.670I

9-[2-(2-Methoxyethoxy)ethoxyacetoxy]-9-des[3-O-[4-O-[4-O-(2,3,6-trideoxy-α-L-erythro-hexopyranosyl)-2,6-dideoxy-α-L-ribo-hexopyranosyl]-2,3,6-trideoxy-α-L-erythro-hexopyranosyl]-4-O-acetyl-2,6-dideoxy-α-L-ribo-hexopyranosyloxy]-26-O-(tert-butyldimethylsilyl)tetrocarcin A

9-[2-(2-メトキシエトキシ)エトキシアセトキシ]-9-デス[3-O-[4-O-[4-O-(2,3,6-トリデオキシ-α-L-erythro-ヘキソピラノシル)-2,6-ジデオキシ-α-L-ribo-ヘキソピラノシル]-2,3,6-トリデオキシ-α-L-erythro-ヘキソピラノシル]-4-O-アセチル-2,6-ジデオキシ-α-L-ribo-ヘキソピラノシルオキシ]-26-O-(tert-ブチルジメチルシリル)テトロカルシン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: C54H80N[N+]O16[O-]Si
Molecular formula furigana: C54-H80-N2-O17-SI
Molecular weight: 1057.316
InChI: InChI=1S/C54H80N2O17Si/c1-30-15-18-40(70-42-27-52(9,56(63)64)46(34(5)69-42)55-50(62)66-12)31(2)24-38-39(58)25-35(28-57)26-54(38)48(73-74(13,14)51(6,7)8)43(49(61)72-54)47(60)53(10)37(30)17-16-36-44(53)32(3)23-33(4)45(36)71-41(59)29-68-22-21-67-20-19-65-11/h15-17,24-25,28,32-34,36-40,42,44-46,58H,18-23,26-27,29H2,1-14H3,(H,55,62)/b30-15?,31-24+/t32-,33-,34+,36-,37-,38+,39-,40-,42-,44+,45-,46-,52-,53+,54-/m0/s1
InChI key: PQZUKJGDVYWVBP-HXAMZHFZSA-N
SMILES: COCCOCCOCC(=O)O[C@H]1[C@@H](C)C[C@H](C)[C@@H]2[C@@H]1C=C[C@H]1C(=CC[C@H](O[C@H]3C[C@@](C)([C@@H](NC(=O)OC)[C@@H](C)O3)[N+](=O)[O-])/C(=C/[C@@H]3[C@@H](O)C=C(C[C@@]43OC(=O)C(=C4O[Si](C)(C)C(C)(C)C)C(=O)[C@@]21C)C=O)/C)C
Systematic name  (3):
  • 9-[2-(2-メトキシエトキシ)エトキシアセトキシ]-9-デス[3-O-[4-O-[4-O-(2,3,6-トリデオキシ-α-L-erythro-ヘキソピラノシル)-2,6-ジデオキシ-α-L-ribo-ヘキソピラノシル]-2,3,6-トリデオキシ-α-L-erythro-ヘキソピラノシル]-4-O-アセチル-2,6-ジデオキシ-α-L-ribo-ヘキソピラノシルオキシ]-26-O-(tert-ブチルジメチルシリル)テトロカルシンA
  • (1S,5S,6R,7E,9S,13S,16S,17S,18S,20S,21R,22S)-27-[(tert-ブチルジメチルシリル)オキシ]-3-ホルミル-5-ヒドロキシ-9-{[(2R,4S,5R,6R)-5-[(メトキシカルボニル)アミノ]-4,6-ジメチル-4-ニトロオキサン-2-イル]オキシ}-8,12,18,20,22-ペンタメチル-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-3,7,11,14,24(27)-ペンタエン-17-イル 2-[2-(2-メトキシエトキシ)エトキシ]アセタート
  • (1S,5S,6R,7E,9S,13S,16S,17S,18S,20S,21R,22S)-27-[(tert-butyldimethylsilyl)oxy]-3-formyl-5-hydroxy-9-{[(2R,4S,5R,6R)-5-[(methoxycarbonyl)amino]-4,6-dimethyl-4-nitrooxan-2-yl]oxy}-8,12,18,20,22-pentamethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-3,7,11,14,24(27)-pentaen-17-yl 2-[2-(2-methoxyethoxy)ethoxy]acetate
Other name (1):
  • 9-[2-(2-Methoxyethoxy)ethoxyacetoxy]-9-des[3-O-[4-O-[4-O-(2,3,6-trideoxy-α-L-erythro-hexopyranosyl)-2,6-dideoxy-α-L-ribo-hexopyranosyl]-2,3,6-trideoxy-α-L-erythro-hexopyranosyl]-4-O-acetyl-2,6-dideoxy-α-L-ribo-hexopyranosyloxy]-26-O-(tert-butyldimethylsilyl)tetrocarcin A
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