Chem
J-GLOBAL ID：200907069363902642   Nikkaji number：J203.819F

Kabiramide C

カビラミドC
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： C48H71N5O14
Molecular formula furigana： C48-H71-N5-O14
Molecular weight： 942.117
InChI： InChI=1S/C48H71N5O14/c1-27-19-33(66-48(49)58)21-43(57)67-41(22-40(60-9)28(2)15-16-37(55)30(4)44(61-10)29(3)17-18-53(7)26-54)32(6)39(59-8)13-12-14-42-50-35(24-63-42)46-52-36(25-65-46)47-51-34(23-64-47)45(62-11)31(5)38(56)20-27/h12,14,17-18,23-33,38-41,44-45,56H,13,15-16,19-22H2,1-11H3,(H2,49,58)/b14-12+,18-17+/t27-,28-,29+,30-,31-,32+,33-,38-,39-,40-,41-,44-,45?/m0/s1
InChI key： VDALFVIVHBKWES-NZZGCKKRSA-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](OC)[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,4S,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-ヒドロキシ-10,22-ジメトキシ-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,8S,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-ヒドロキシ-10,22-ジメトキシ-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,8S,9R,10E)-2,8-dimethoxy-3,7,9-trimethyl-11-(N-methylformamido)-6-oxoundec-10-en-1-yl]-12-hydroxy-10,22-dimethoxy-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)：
  • Kabiramide C
  • N-[(1E,3R,4S,5R,9S,10S)-11-[(10R,11S,12S,14R,16S,20S,21R,22S,24E)-16-[(Aminocarbonyl)oxy]-12-hydroxy-10,22-dimethoxy-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)-heptene-20-yl]-4,10-dimethoxy-3,5,9-trimethyl-6-oxo-1-undecenyl]-N-methylformamide
  • カビラミドC
CAS registry number： 100045-78-1
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