Chem
J-GLOBAL ID：200907006313178127   Nikkaji number：J358.693F

Ulapualide A

ウラプアリド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： C46H64N4O13
Molecular formula furigana： C46-H64-N4-O13
Molecular weight： 881.033
InChI： InChI=1S/C46H64N4O13/c1-27(16-17-38(55)30(4)44(62-32(6)52)28(2)18-19-50(7)26-51)40(58-9)22-41-31(5)39(57-8)14-11-15-42-47-36(24-59-42)45-49-37(25-61-45)46-48-35(23-60-46)29(3)20-33(53)12-10-13-34(54)21-43(56)63-41/h11,15,18-19,23-31,34,39-41,44,54H,10,12-14,16-17,20-22H2,1-9H3/b15-11+,19-18+/t27-,28+,29-,30-,31-,34+,39+,40+,41+,44+/m0/s1
InChI key： LVCVJHOYJVOSGI-JZQDNQDTSA-N
SMILES： CO[C@H](C[C@H]1OC(=O)C[C@H](O)CCCC(=O)C[C@H](C)c2coc(n2)c2coc(n2)c2coc(/C=C/C[C@@H](OC)[C@@H]1C)n2)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC(=O)C)[C@H](C)/C=C/N(C)C=O
Systematic name  (3)：
  • (1E,3R,4R,5R,9S,10R,12R,13S,14R,16E,21R,27S)-4-O-アセチル-21-O-デ(アミノカルボニル)-27-デメトキシ-4-O,23,26-トリデメチル-25-デオキシ-27-メチル-25-オキソカビラミドC
  • (1E,3R,4R,5R,9S,10R)-11-[(10S,16R,20R,21S,22R,24E)-16-ヒドロキシ-22-メトキシ-10,21-ジメチル-12,18-ジオキソ-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-20-イル]-10-メトキシ-3,5,9-トリメチル-1-(N-メチルホルムアミド)-6-オキソウンデカ-1-エン-4-イル アセタート
  • (1E,3R,4R,5R,9S,10R)-11-[(10S,16R,20R,21S,22R,24E)-16-hydroxy-22-methoxy-10,21-dimethyl-12,18-dioxo-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-20-yl]-10-methoxy-3,5,9-trimethyl-1-(N-methylformamido)-6-oxoundec-1-en-4-yl acetate
Other name (5)：
  • (-)-ウラプアリドA
  • ウラプアリドA
  • (-)-Ulapualid A
  • Ulapualide A
  • (1E,3R,4R,5R,9S,10R,12R,13S,14R,16E,21R,27S)-4-O-Acetyl-21-O-de(aminocarbonyl)-27-demethoxy-4-O,23,26-tridemethyl-25-deoxy-27-methyl-25-oxokabiramide C
CAS registry number： 100045-73-6
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