Chem
J-GLOBAL ID:200907076881208080   Nikkaji number:J709.412D

Leucascandrolide A

ロイカスカンドロリド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: C38H56N2O10
Molecular formula furigana: C38-H56-N2-O10
Molecular weight: 700.870
InChI: InChI=1S/C38H56N2O10/c1-25(2)10-8-12-28-18-29-16-15-26(3)34(48-29)22-30(44-4)19-31-20-32(21-33(47-31)23-37(42)49-28)50-36(41)14-7-6-11-27-24-46-35(40-27)13-9-17-39-38(43)45-5/h7-9,12-14,24-26,28-34H,6,10-11,15-23H2,1-5H3,(H,39,43)/b12-8+,13-9-,14-7-/t26-,28-,29-,30+,31+,32+,33+,34+/m0/s1
InChI key: ZZQYLRUTULGFDB-MRSXXGGWSA-N
SMILES: CO[C@@H]1C[C@@H]2C[C@H](C[C@H](CC(=O)O[C@H](C[C@@H]3CC[C@H](C)[C@@H](C1)O3)/C=C/CC(C)C)O2)OC(=O)/C=C\CCc1coc(/C=C\CNC(=O)OC)n1
Systematic name  (5):
  • (4R,6R,8R,10R,12R,13S,16S,18R)-6-[(Z)-5-[2-[(Z)-3-[(メトキシカルボニル)アミノ]-1-プロペニル]オキサゾール-4-イル]-2-ペンテノイルオキシ]-10-メトキシ-13-メチル-18-[(E)-4-メチル-1-ペンテニル]-4,8:12,16-ジエポキシ-1-オキサシクロオクタデカン-2-オン
  • (Z)-5-[2-[(Z)-3-[(メトキシカルボニル)アミノ]-1-プロペニル]オキサゾール-4-イル]-2-ペンテン酸(1R,5R,7S,10S,11R,13R,15R,17R)-3-オキソ-5-[(E)-4-メチル-1-ペンテニル]-10-メチル-13-メトキシ-4,19,20-トリオキサトリシクロ[13.3.1.17,11]イコサン-17-イル
  • (4R,6R,8R,10R,12R,13S,16S,18R)-6-[[(Z)-5-[2-[(Z)-3-(メトキシカルボニルアミノ)-1-プロペニル]オキサゾール-4-イル]-2-ペンテノイル]オキシ]-10-メトキシ-13-メチル-18-[(E)-4-メチル-1-ペンテニル]-4,8:12,16-ジエポキシ-1-オキサシクロオクタデカン-2-オン
  • (1R,3R,5R,7R,9R,13R,15S,18S)-3-メトキシ-18-メチル-13-[(1E)-4-メチルペンタ-1-エン-1-イル]-11-オキソ-12,19,20-トリオキサトリシクロ[13.3.1.15,9]イコサン-7-イル (2Z)-5-{2-[(1Z)-3-[(メトキシカルボニル)アミノ]プロパ-1-エン-1-イル]-1,3-オキサゾール-4-イル}ペンタ-2-エノアート
  • (1R,3R,5R,7R,9R,13R,15S,18S)-3-methoxy-18-methyl-13-[(1E)-4-methylpent-1-en-1-yl]-11-oxo-12,19,20-trioxatricyclo[13.3.1.15,9]icosan-7-yl (2Z)-5-{2-[(1Z)-3-[(methoxycarbonyl)amino]prop-1-en-1-yl]-1,3-oxazol-4-yl}pent-2-enoate
Other name (7):
  • ロイカスカンドロリドA
  • Leucascandrolide A
  • (4R,6R,8R,10R,12R,13S,16S,18R)-6-[(Z)-5-[2-[(Z)-3-[(Methoxycarbonyl)amino]-1-propenyl]oxazol-4-yl]-2-pentenoyloxy]-10-methoxy-13-methyl-18-[(E)-4-methyl-1-pentenyl]-4,8:12,16-diepoxy-1-oxacyclooctadecan-2-one
  • (4R,6R,8R,10R,12R,13S,16S,18R)-6-[[(Z)-5-[2-[(Z)-3-(Methoxycarbonylamino)-1-propenyl]oxazole-4-yl]-2-pentenoyl]oxy]-10-methoxy-13-methyl-18-[(E)-4-methyl-1-pentenyl]-4,8:12,16-diepoxy-1-oxacyclooctadecane-2-one
  • (Z)-5-[2-[(Z)-3-[(Methoxycarbonyl)amino]-1-propenyl]oxazole-4-yl]-2-pentenoic acid (1R,5R,7S,10S,11R,13R,15R,17R)-3-oxo-5-[(E)-4-methyl-1-pentenyl]-10-methyl-13-methoxy-4,19,20-trioxatricyclo[13.3.1.17,11]icosane-17-yl ester
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