Chem
J-GLOBAL ID:200907074943762418   Nikkaji number:J1.374.623K

1-O-(1-O,2-O-Dipalmitoyl-L-glycero-3-phospho)-2-O,4-O,6-O-tribenzyl-D-myo-inositol

1-O-(1-O,2-O-ジパルミトイル-L-グリセロ-3-ホスホ)-2-O,4-O,6-O-トリベンジル-D-myo-イノシトール
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: C62H97O13P
Molecular formula furigana: C62-H97-O13-P
Molecular weight: 1081.419
InChI: InChI=1S/C62H97O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-36-44-55(63)69-49-54(74-56(64)45-37-26-24-22-20-18-16-14-12-10-8-6-4-2)50-73-76(67,68)75-62-60(71-47-52-40-32-28-33-41-52)57(65)59(70-46-51-38-30-27-31-39-51)58(66)61(62)72-48-53-42-34-29-35-43-53/h27-35,38-43,54,57-62,65-66H,3-26,36-37,44-50H2,1-2H3,(H,67,68)/t54-,57-,58+,59-,60-,61-,62?/m1/s1
InChI key: LYBMLYMHDTXNHK-CZZGTVSNSA-N
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@H](OCc2ccccc2)[C@@H](O)[C@H](OCc2ccccc2)[C@@H](O)[C@H]1OCc1ccccc1)OC(=O)CCCCCCCCCCCCCCC
Systematic name  (3):
  • 1-O-(1-O,2-O-ジパルミトイル-L-グリセロ-3-ホスホ)-2-O,4-O,6-O-トリベンジル-D-myo-イノシトール
  • [(2R)-2,3-ビス(ヘキサデカノイルオキシ)プロポキシ]({[(2R,3R,4S,5S,6R)-2,4,6-トリス(ベンジルオキシ)-3,5-ジヒドロキシシクロヘキシル]オキシ})ホスフィン酸
  • [(2R)-2,3-bis(hexadecanoyloxy)propoxy]({[(2R,3R,4S,5S,6R)-2,4,6-tris(benzyloxy)-3,5-dihydroxycyclohexyl]oxy})phosphinic acid
Other name (1):
  • 1-O-(1-O,2-O-Dipalmitoyl-L-glycero-3-phospho)-2-O,4-O,6-O-tribenzyl-D-myo-inositol
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