Chem
J-GLOBAL ID：200907085608691672   Nikkaji number：J555.940E

Bullatacinone

ブラタシノン
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： C37H66O7
Molecular formula furigana： C37-H66-O7
Molecular weight： 622.928
InChI： InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29-,30-,31+,32-,33-,34-,35-,36-/m1/s1
InChI key： KGGVWMAPBXIMEM-ZRTAFWODSA-N
SMILES： CCCCCCCCCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCC[C@@H]1C[C@@H](CC(=O)C)C(=O)O1
Systematic name  (3)：
  • (3S,5R)-4,5-ジヒドロ-5-[(11R)-11-ヒドロキシ-11-[[(2R,2′R,5R,5′R)-オクタヒドロ-5′-[(S)-1-ヒドロキシウンデシル][2,2′-ビフラン]]-5-イル]ウンデシル]-3-(2-オキソプロピル)-2(3H)-フラノン
  • (3S,5R)-5-[(11R)-11-ヒドロキシ-11-[(2R,2'R,5R,5'R)-5'-[(1S)-1-ヒドロキシウンデシル]-[2,2'-ビオキソラン]-5-イル]ウンデシル]-3-(2-オキソプロピル)オキソラン-2-オン
  • (3S,5R)-5-[(11R)-11-hydroxy-11-[(2R,2'R,5R,5'R)-5'-[(1S)-1-hydroxyundecyl]-[2,2'-bioxolan]-5-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
Other name (3)：
  • ブラタシノン
  • Bullatacinone
  • (3S,5R)-4,5-Dihydro-5-[(11R)-11-hydroxy-11-[[(2R,2′R,5R,5′R)-octahydro-5′-[(S)-1-hydroxyundecyl][2,2′-bifuran]]-5-yl]undecyl]-3-(2-oxopropyl)-2(3H)-furanone
CAS registry number： 123012-00-0
KEGG COMPOUND： C08470
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