Chem
J-GLOBAL ID：200907004228675364   Nikkaji number：J970.344F

Pyranicin

ピラニシン
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： C35H64O7
Molecular formula furigana： C35-H64-O7
Molecular weight： 596.890
InChI： InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-22-33-32(39)23-24-34(42-33)31(38)21-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29+,30+,31+,32+,33+,34+/m0/s1
InChI key： DKEKHIOBJJTNIY-CGWDHHCXSA-N
SMILES： CCCCCCCCCCCC[C@H]1O[C@H](CC[C@H]1O)[C@H](O)CCCC[C@H](O)CCCCC[C@@H](O)CC1=C[C@H](C)OC1=O
Systematic name  (3)：
  • (5S)-3-[(2R,8R,13R)-2,8,13-トリヒドロキシ-13-[[(2R)-5β-ヒドロキシ-6β-ドデシルテトラヒドロ-2H-ピラン]-2β-イル]トリデシル]-5-メチルフラン-2(5H)-オン
  • (5S)-3-[(2R,8R,13R)-13-[(2R,5R,6R)-6-ドデシル-5-ヒドロキシオキサン-2-イル]-2,8,13-トリヒドロキシトリデシル]-5-メチル-2,5-ジヒドロフラン-2-オン
  • (5S)-3-[(2R,8R,13R)-13-[(2R,5R,6R)-6-dodecyl-5-hydroxyoxan-2-yl]-2,8,13-trihydroxytridecyl]-5-methyl-2,5-dihydrofuran-2-one
Other name (3)：
  • (5S)-3-[(2R,8R,13R)-2,8,13-Trihydroxy-13-[[(2R)-5β-hydroxy-6β-dodecyltetrahydro-2H-pyran]-2β-yl]tridecyl]-5-methylfuran-2(5H)-one
  • ピラニシン
  • Pyranicin
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