Chem
J-GLOBAL ID：200907080367525766   Nikkaji number：J897.178A

Presqualene

プレスクアレン
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： C30H52O7P2
Molecular formula furigana： C30-H52-O7-P2
Molecular weight： 586.687
InChI： InChI=1S/C30H52O7P2/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-36-39(34,35)37-38(31,32)33)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3,(H,34,35)(H2,31,32,33)/b25-17+,26-19+,27-21+/t28-,29-,30-/m0/s1
InChI key： ATZKAUGGNMSCCY-VYCBRMPGSA-N
SMILES： CC(=CCC/C(=C/CC/C(=C/[C@H]1[C@H](COP(=O)(O)OP(=O)(O)O)[C@@]1(C)CC/C=C(\C)/CCC=C(C)C)/C)/C)C
Systematic name  (3)：
  • 二りん酸α-[[(1S,2S,3S)-2-[(3E)-4,8-ジメチル-3,7-ノナジエニル]-2-メチル-3-[(1E,5E)-2,6,10-トリメチル-1,5,9-ウンデカトリエニル]シクロプロピル]メチル]
  • [({[(1S,2S,3S)-2-[(3E)-4,8-ジメチルノナ-3,7-ジエン-1-イル]-2-メチル-3-[(1E,5E)-2,6,10-トリメチルウンデカ-1,5,9-トリエン-1-イル]シクロプロピル]メトキシ}(ヒドロキシ)ホスホリル)オキシ]ホスホン酸
  • [({[(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Other name (3)：
  • プレスクアレン
  • Presqualene
  • Diphosphoric acid α-[[(1S,2S,3S)-2-[(3E)-4,8-dimethyl-3,7-nonadienyl]-2-methyl-3-[(1E,5E)-2,6,10-trimethyl-1,5,9-undecatrienyl]cyclopropyl]methyl] ester
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