Chem
J-GLOBAL ID：200907006669489755   Nikkaji number：J2.698.258H

(18α)-5-Methyl-19β-hydroxy-4,5-seco-3,5-cyclo-25-nor-5β-oleana-9-ene-28-oic acid lactone

(18α)-5-メチル-19β-ヒドロキシ-4,5-セコ-3,5-シクロ-25-ノル-5β-オレアナ-9-エン-28-酸ラクトン
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： C30H46O2
Molecular formula furigana： C30-H46-O2
Molecular weight： 438.696
InChI： InChI=1S/C30H46O2/c1-18(2)19-8-9-20-21-10-11-22-23-24-26(3,4)12-16-30(23,25(31)32-24)17-15-29(22,7)28(21,6)14-13-27(19,20)5/h18-19,22-24H,8-17H2,1-7H3/t19?,22-,23+,24-,27-,28-,29-,30+/m1/s1
InChI key： ODBWFPVMUHVFEO-BJJUZJBPSA-N
SMILES： CC(C)C1CCC2=C3CC[C@@H]4[C@H]5[C@H]6OC(=O)[C@@]5(CCC6(C)C)CC[C@@]4(C)[C@]3(C)CC[C@]12C
Systematic name  (3)：
  • (18α)-5-メチル-19β-ヒドロキシ-4,5-セコ-3,5-シクロ-25-ノル-5β-オレアナ-9-エン-28-酸ラクトン
  • (1R,4R,5S,8R,16R,17R,18R)-4,5,8,19,19-ペンタメチル-9-(プロパン-2-イル)-23-オキサヘキサシクロ[16.3.2.01,17.04,16.05,13.08,12]トリコサ-12-エン-22-オン
  • (1R,4R,5S,8R,16R,17R,18R)-4,5,8,19,19-pentamethyl-9-(propan-2-yl)-23-oxahexacyclo[16.3.2.01,17.04,16.05,13.08,12]tricos-12-en-22-one
Other name (1)：
  • (18α)-5-Methyl-19β-hydroxy-4,5-seco-3,5-cyclo-25-nor-5β-oleana-9-ene-28-oic acid lactone
Thsaurus map：
Thesaurus Map

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