Chem
J-GLOBAL ID:200907024389410574   Nikkaji number:J2.403.352J

3β-Acetoxy-21-oxo-22,22-(epoxymethano)lupa-18-ene-28-oic acid methyl ester

3β-アセトキシ-21-オキソ-22,22-(エポキシメタノ)ルパ-18-エン-28-酸メチル
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: C34H50O6
Molecular formula furigana: C34-H50-O6
Molecular weight: 554.768
InChI: InChI=1S/C34H50O6/c1-19(2)25-26-21-10-11-23-30(6)14-13-24(40-20(3)35)29(4,5)22(30)12-15-32(23,8)31(21,7)16-17-33(26,28(37)38-9)34(18-39-34)27(25)36/h19,21-24H,10-18H2,1-9H3/t21-,22+,23-,24+,30+,31-,32-,33-,34?/m1/s1
InChI key: PNEXVDXDVOBTJJ-DFPWPALWSA-N
SMILES: COC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]5CC[C@@]34C)C1=C(C(C)C)C(=O)C12CO1
Systematic name  (3):
  • 3β-アセトキシ-21-オキソ-22,22-(エポキシメタノ)ルパ-18-エン-28-酸メチル
  • メチル (3aS,5aR,5bR,7aR,9S,11aR,11bR,13aS)-9-(アセチルオキシ)-5a,5b,8,8,11a-ペンタメチル-2-オキソ-1-(プロパン-2-イル)-2,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-オクタデカヒドロスピロ[シクロペンタ[a]クリセン-3,2'-オキシラン]-3a-カルボキシラート
  • methyl (3aS,5aR,5bR,7aR,9S,11aR,11bR,13aS)-9-(acetyloxy)-5a,5b,8,8,11a-pentamethyl-2-oxo-1-(propan-2-yl)-2,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydrospiro[cyclopenta[a]chrysene-3,2'-oxirane]-3a-carboxylate
Other name (1):
  • 3β-Acetoxy-21-oxo-22,22-(epoxymethano)lupa-18-ene-28-oic acid methyl ester
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