Chem
J-GLOBAL ID：200907080824744983   Nikkaji number：J418.052F

Mycalolide A

ミカロリド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： C47H64N4O14
Molecular formula furigana： C47-H64-N4-O14
Molecular weight： 909.043
InChI： InChI=1S/C47H64N4O14/c1-27(17-18-38(56)29(3)44(64-32(6)53)28(2)19-20-51(7)26-52)40(59-9)22-41-31(5)39(58-8)15-12-16-42-48-35(24-61-42)46-50-36(25-63-46)47-49-34(23-62-47)45(60-10)30(4)37(55)14-11-13-33(54)21-43(57)65-41/h11-12,14,16,19-20,23-31,33,39-41,44-45,54H,13,15,17-18,21-22H2,1-10H3/b14-11+,16-12+,20-19+/t27-,28+,29-,30-,31+,33-,39-,40-,41-,44+,45?/m0/s1
InChI key： SZQYPBVSIIOBCT-VJFRJHKUSA-N
SMILES： CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@H](C)C(OC)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,10S,12S,13R,14S,16E,21S,23E,26R,27S)-4-O-アセチル-21-O-デ(アミノカルボニル)-23,24-ジデヒドロ-39,46-ジノル-25-デオキシ-25-オキソカビラミドC
  • (1E,3R,4R,5R,9S,10S)-11-[(10S,11R,13E,16S,20S,21R,22S,24E)-16-ヒドロキシ-10,22-ジメトキシ-11,21-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),8,13,24,26(29)-オクタエン-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,10S)-11-[(10S,11R,13E,16S,20S,21R,22S,24E)-16-hydroxy-10,22-dimethoxy-11,21-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),8,13,24,26(29)-octaen-20-yl]-10-methoxy-3,5,9-trimethyl-1-(N-methylformamido)-6-oxoundec-1-en-4-yl acetate
Other name (5)：
  • ミカロリドA
  • Mycalolide A
  • (1E,3R,4R,5R,9S,10S,12S,13R,14S,16E,21S,23E,26R,27S)-4-O-Acetyl-21-O-de(aminocarbonyl)-23,24-didehydro-39,46-dinor-25-deoxy-25-oxokabiramide C
  • (-)-ミカロリドA
  • (-)-Mycalolide A
CAS registry number： 121038-36-6
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM