Chem
J-GLOBAL ID：201807018525700840   Nikkaji number：J3.729.054H

Corallopyronin A

コラロピロニン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： C30H41NO7
Molecular formula furigana： C30-H41-N-O7
Molecular weight： 527.658
InChI： InChI=1S/C30H41NO7/c1-7-8-9-12-21(3)24(32)17-15-20(2)14-16-23(5)28(34)27-25(33)19-26(38-29(27)35)22(4)13-10-11-18-31-30(36)37-6/h7-8,11-12,14,16,18-19,22,24,32-33H,9-10,13,15,17H2,1-6H3,(H,31,36)/b8-7+,18-11+,20-14+,21-12+,23-16+/t22-,24-/m1/s1
InChI key： FPBHSTHTCPCNBS-OVMFAOIWSA-N
SMILES： N(C(=O)OC)/C=C/CC[C@@H](C)c1oc(=O)c(c(c1)O)C(=O)/C(=C/C=C(/CC[C@H](/C(=C/C/C=C/C)/C)O)\C)/C
Systematic name  (3)：
  • [(1E,5R)-5-[4-ヒドロキシ-3-[(2E,4E,8R,9E,12E)-8-ヒドロキシ-2,5,9-トリメチル-1-オキソ-2,4,9,12-テトラデカテトラエニル]-2-オキソ-2H-ピラン-6-イル]-1-ヘキセニル]カルバミド酸メチル
  • メチル N-[(1E,5R)-5-{4-ヒドロキシ-3-[(2E,4E,8R,9E,12E)-8-ヒドロキシ-2,5,9-トリメチルテトラデカ-2,4,9,12-テトラエノイル]-2-オキソ-2H-ピラン-6-イル}ヘキサ-1-エン-1-イル]カルバマート
  • methyl N-[(1E,5R)-5-{4-hydroxy-3-[(2E,4E,8R,9E,12E)-8-hydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraenoyl]-2-oxo-2H-pyran-6-yl}hex-1-en-1-yl]carbamate
Other name (4)：
  • メチル N-[(1E,5R)-5-{4-ヒドロキシ-5-[(2E,4E,8R,9E,12E)-8-ヒドロキシ-2,5,9-トリメチルテトラデカ-2,4,9,12-テトラエノイル]-6-オキソピラン-2-イル}ヘキサ-1-エン-1-イル]カルバマート
  • methyl N-[(1E,5R)-5-{4-hydroxy-5-[(2E,4E,8R,9E,12E)-8-hydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraenoyl]-6-oxopyran-2-yl}hex-1-en-1-yl]carbamate
  • コラロピロニンA
  • Corallopyronin A
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