Chem
J-GLOBAL ID：200907092309316292   Nikkaji number：J2.394.771D

Kabiramide B

カビラミドB
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： C47H69N5O14
Molecular formula furigana： C47-H69-N5-O14
Molecular weight： 928.090
InChI： InChI=1S/C47H69N5O14/c1-26-18-32(65-47(48)58)20-42(57)66-40(21-39(59-8)27(2)14-15-37(55)30(5)43(60-9)28(3)16-17-52(7)25-53)29(4)36(54)12-11-13-41-49-34(23-62-41)45-51-35(24-64-45)46-50-33(22-63-46)44(61-10)31(6)38(56)19-26/h11,13,16-17,22-32,36,38-40,43-44,54,56H,12,14-15,18-21H2,1-10H3,(H2,48,58)/b13-11+,17-16+/t26-,27-,28+,29+,30-,31-,32-,36-,38-,39-,40-,43+,44?/m0/s1
InChI key： SVDMAXBQMZIUPX-ULMUFZNVSA-N
SMILES： CO[C@@H](C[C@@H]1OC(=O)C[C@H](C[C@H](C)C[C@H](O)[C@H](C)C(OC)c2coc(n2)c2coc(n2)c2coc(/C=C/C[C@H](O)[C@H]1C)n2)OC(=O)N)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O
Systematic name  (3)：
  • N-[(1E,3R,4R,5R,9S,10S)-11-[(10R,11S,12S,14R,16S,20S,21R,22S,24E)-16-[(アミノカルボニル)オキシ]-12,22-ジヒドロキシ-10-メトキシ-11,14,21-トリメチル-18-オキソ-3,7,19,27-テトラオキサ-29,30,31-トリアザテトラシクロ[24.2.1.12,5.16,9]ヘントリアコンタ-2(31),4,6(30),8,24,26(29),28(1)-ヘプタエン-20-イル]-4,10-ジメトキシ-3,5,9-トリメチル-6-オキソ-1-ウンデセニル]-N-メチルホルムアミド
  • (10R,11S,12S,14R,16S,20S,21R,22S,24E)-20-[(2S,3S,7R,8R,9R,10E)-2,8-ジメトキシ-3,7,9-トリメチル-11-(N-メチルホルムアミド)-6-オキソウンデカ-10-エン-1-イル]-12,22-ジヒドロキシ-10-メトキシ-11,14,21-トリメチル-18-オキソ-3,7,19,27-テトラオキサ-29,30,31-トリアザテトラシクロ[24.2.1.12,5.16,9]ヘントリアコンタ-1(28),2(31),4,6(30),8,24,26(29)-ヘプタエン-16-イル カルバマート
  • (10R,11S,12S,14R,16S,20S,21R,22S,24E)-20-[(2S,3S,7R,8R,9R,10E)-2,8-dimethoxy-3,7,9-trimethyl-11-(N-methylformamido)-6-oxoundec-10-en-1-yl]-12,22-dihydroxy-10-methoxy-11,14,21-trimethyl-18-oxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-16-yl carbamate
Other name (3)：
  • N-[(1E,3R,4R,5R,9S,10S)-11-[(10R,11S,12S,14R,16S,20S,21R,22S,24E)-16-[(Aminocarbonyl)oxy]-12,22-dihydroxy-10-methoxy-11,14,21-trimethyl-18-oxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-2(31),4,6(30),8,24,26(29),28(1)-heptaene-20-yl]-4,10-dimethoxy-3,5,9-trimethyl-6-oxo-1-undecenyl]-N-methylformamide
  • カビラミドB
  • Kabiramide B
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