Chem
J-GLOBAL ID：200907020411542751   Nikkaji number：J418.053D

Mycalolide B

ミカロリド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： C52H74N4O17
Molecular formula furigana： C52-H74-N4-O17
Molecular weight： 1027.175
InChI： InChI=1S/C52H74N4O17/c1-30(19-20-42(73-52(62)45(66-11)28-63-8)34(5)48(71-35(6)58)31(2)21-22-56(7)29-57)43(65-10)24-44-33(4)41(64-9)17-14-18-46-53-38(26-68-46)50-55-39(27-70-50)51-54-37(25-69-51)49(67-12)32(3)40(60)16-13-15-36(59)23-47(61)72-44/h13-14,16,18,21-22,25-27,29-34,36,41-45,48-49,59H,15,17,19-20,23-24,28H2,1-12H3
InChI key： ZYDMLFOHENLMIN-UHFFFAOYSA-N
SMILES： COCC(OC)C(=O)OC(CCC(C)C(CC1OC(=O)CC(O)CC=CC(=O)C(C)C(OC)c2coc(n2)c2coc(n2)c2coc(C=CCC(OC)C1C)n2)OC)C(C)C(OC(=O)C)C(C)C=CN(C)C=O
Systematic name  (3)：
  • 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-6-デオキソ-25-デオキシ-6-(2,3-ジメトキシ-1-オキソプロポキシ)-25-オキソカビラミドC
  • 4-(アセチルオキシ)-11-{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)ウンデカ-1-エン-6-イル 2,3-ジメトキシプロパノアート
  • 4-(acetyloxy)-11-{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)undec-1-en-6-yl 2,3-dimethoxypropanoate
Other name (3)：
  • ミカロリドB
  • Mycalolide B
  • 4-O-Acetyl-21-O-de(aminocarbonyl)-23,24-didehydro-39,46-dinor-6-deoxo-25-deoxy-6-(2,3-dimethoxy-1-oxopropoxy)-25-oxokabiramide C
CAS registry number： 122752-21-0
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