Chem
J-GLOBAL ID：200907039114444700   Nikkaji number：J8.889G

Laserpitin

ラセルピチン
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： C25H38O7
Molecular formula furigana： C25-H38-O7
Molecular weight： 450.572
InChI： InChI=1S/C25H38O7/c1-9-15(5)21(27)31-17-13-24(8,29)19(26)20(32-22(28)16(6)10-2)23(7)11-12-25(30,14(3)4)18(17)23/h9-10,14,17-18,20,29-30H,11-13H2,1-8H3/b15-9-,16-10-/t17-,18-,20+,23-,24+,25+/m0/s1
InChI key： LYTPVRMVQVQYGM-XOPMVEEHSA-N
SMILES： C/C=C(/C)\C(=O)O[C@H]1C[C@@](C)(O)C(=O)[C@@H](OC(=O)/C(=C\C)/C)[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]12
Systematic name  (3)：
  • ビス[(Z)-2-メチル-2-ブテン酸](1R,8aR)-デカヒドロ-1,6α-ジヒドロキシ-3aβ,6-ジメチル-1-(1-メチルエチル)-5-オキソ-4α,8α-アズレンジイル
  • (1R,3aS,4S,6R,8S,8aR)-1,6-ジヒドロキシ-3a,6-ジメチル-8-{[(2Z)-2-メチルブタ-2-エノイル]オキシ}-5-オキソ-1-(プロパン-2-イル)-デカヒドロアズレン-4-イル (2Z)-2-メチルブタ-2-エノアート
  • (1R,3aS,4S,6R,8S,8aR)-1,6-dihydroxy-3a,6-dimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-5-oxo-1-(propan-2-yl)-decahydroazulen-4-yl (2Z)-2-methylbut-2-enoate
Other name (3)：
  • ラセルピチン
  • Laserpitin
  • Bis[(Z)-2-methyl-2-butenoic acid](1R,8aR)-decahydro-1,6α-dihydroxy-3aβ,6-dimethyl-1-(1-methylethyl)-5-oxo-4α,8α-azulenediyl ester
CAS registry number： 7067-12-1
KEGG COMPOUND： C09697
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