Chem
J-GLOBAL ID：200907027833568952   Nikkaji number：J1.253.387J

29-Acetoxy-3-oxotirucalla-7,24-diene-21-oic acid

29-アセトキシ-3-オキソチルカラ-7,24-ジエン-21-酸
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： C32H48O5
Molecular formula furigana： C32-H48-O5
Molecular weight： 512.731
InChI： InChI=1S/C32H48O5/c1-20(2)9-8-10-22(28(35)36)23-13-17-32(7)25-11-12-26-29(4,24(25)14-18-31(23,32)6)16-15-27(34)30(26,5)19-37-21(3)33/h9,11,22-24,26H,8,10,12-19H2,1-7H3,(H,35,36)/t22-,23-,24-,26+,29+,30+,31-,32+/m0/s1
InChI key： WNBQUUXWPDCLBL-SURDOKLXSA-N
SMILES： CC(=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=CC[C@H]4[C@@](C)(COC(=O)C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(=O)O)C
Systematic name  (3)：
  • 29-アセトキシ-3-オキソチルカラ-7,24-ジエン-21-酸
  • (2S)-2-[(1S,3aS,5aR,6S,9aR,9bR,11aS)-6-[(アセチルオキシ)メチル]-3a,6,9a,11a-テトラメチル-7-オキソ-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]-6-メチルヘプタ-5-エン酸
  • (2S)-2-[(1S,3aS,5aR,6S,9aR,9bR,11aS)-6-[(acetyloxy)methyl]-3a,6,9a,11a-tetramethyl-7-oxo-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid
Other name (1)：
  • 29-Acetoxy-3-oxotirucalla-7,24-diene-21-oic acid
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