Chem
J-GLOBAL ID：200907085202997223   Nikkaji number：J2.463.878B

3-O-Methylmalonylcabraleahydroxylactone

3-O-メチルマロニルカブラレアヒドロキシラクトン
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： C31H48O6
Molecular formula furigana： C31-H48-O6
Molecular weight： 516.719
InChI： InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3/t19-,20+,21+,22-,23-,28+,29-,30-,31+/m1/s1
InChI key： ANHOWKNWMOVOFJ-PFVOOUMGSA-N
SMILES： COC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H](CC[C@@]32C)[C@]2(C)CCC(=O)O2)C1(C)C
Systematic name  (3)：
  • (20S)-20-ヒドロキシ-3α-(3-メトキシ-1,3-ジオキソプロポキシ)-25,26,27-トリノル-5α-ダンマラン-24-酸γ-ラクトン
  • (1S,3aR,3bR,5aR,7R,9aR,9bR,11aR)-3a,3b,6,6,9a-ペンタメチル-1-[(2S)-2-メチル-5-オキソオキソラン-2-イル]-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル 1-メチル プロパンジオアート
  • (1S,3aR,3bR,5aR,7R,9aR,9bR,11aR)-3a,3b,6,6,9a-pentamethyl-1-[(2S)-2-methyl-5-oxooxolan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl 1-methyl propanedioate
Other name (3)：
  • (20S)-20-Hydroxy-3α-(3-methoxy-1,3-dioxopropoxy)-25,26,27-trinor-5α-dammarane-24-oic acid γ-lactone
  • 3-O-メチルマロニルカブラレアヒドロキシラクトン
  • 3-O-Methylmalonylcabraleahydroxylactone
Thsaurus map：
Thesaurus Map

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