Chem
J-GLOBAL ID:200907048374269251   Nikkaji number:J2.031.788D

2-Chloro-3-oxolupa-1-ene-28-oic acid methyl ester

2-クロロ-3-オキソルパ-1-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: C31H47ClO3
Molecular formula furigana: C31-H47-CL-O3
Molecular weight: 503.160
InChI: InChI=1S/C31H47ClO3/c1-18(2)19-11-14-31(26(34)35-8)16-15-29(6)20(24(19)31)9-10-23-28(5)17-21(32)25(33)27(3,4)22(28)12-13-30(23,29)7/h17-20,22-24H,9-16H2,1-8H3/t19-,20+,22-,23+,24+,28-,29+,30+,31-/m0/s1
InChI key: IUMUDPJHOFQMIM-OGQZAPFVSA-N
SMILES: COC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)C=C(Cl)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Systematic name  (3):
  • 2-クロロ-3-オキソルパ-1-エン-28-酸メチル
  • メチル (1S,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-10-クロロ-5a,5b,8,8,11a-ペンタメチル-9-オキソ-1-(プロパン-2-イル)-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,11aH,11bH,12H,13H,13aH,13bH-シクロペンタ[a]クリセン-3a-カルボキシラート
  • methyl (1S,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-10-chloro-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(propan-2-yl)-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,11aH,11bH,12H,13H,13aH,13bH-cyclopenta[a]chrysene-3a-carboxylate
Other name (1):
  • 2-Chloro-3-oxolupa-1-ene-28-oic acid methyl ester
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