Chem
J-GLOBAL ID:200907048918470606   Nikkaji number:J2.260.233K

1,14,19-Trioxo-3β,4β-[isopropylidenebis(oxy)]-7-hydroxy-11α-acetoxy-17β-[(tert-butyldiphenylsiloxy)methyl]-8,14-seco-5β-androsta-6-ene-6-carboxylic acid allyl ester

1,14,19-トリオキソ-3β,4β-[イソプロピリデンビス(オキシ)]-7-ヒドロキシ-11α-アセトキシ-17β-[(tert-ブチルジフェニルシロキシ)メチル]-8,14-セコ-5β-アンドロスタ-6-エン-6-カルボン酸アリル
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: C45H56O11Si
Molecular formula furigana: C45-H56-O11-SI
Molecular weight: 801.017
InChI: InChI=1S/C45H56O11Si/c1-9-22-52-41(51)38-33(48)23-32(45(27-46)37(50)24-34-40(39(38)45)56-43(6,7)55-34)35(54-28(2)47)25-44(8)29(20-21-36(44)49)26-53-57(42(3,4)5,30-16-12-10-13-17-30)31-18-14-11-15-19-31/h9-19,27,29,32,34-35,39-40,48H,1,20-26H2,2-8H3/t29-,32-,34+,35-,39-,40+,44-,45+/m1/s1
InChI key: ZTIHDXILLIZPFU-AFQZGMOHSA-N
SMILES: CC(=O)O[C@H](C[C@]1(C)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC1=O)[C@H]1CC(=C([C@@H]2[C@H]3OC(C)(C)O[C@H]3CC(=O)[C@]12C=O)C(=O)OCC=C)O
Systematic name  (3):
  • 1,14,19-トリオキソ-3β,4β-[イソプロピリデンビス(オキシ)]-7-ヒドロキシ-11α-アセトキシ-17β-[(tert-ブチルジフェニルシロキシ)メチル]-8,14-セコ-5β-アンドロスタ-6-エン-6-カルボン酸アリル
  • プロパ-2-エン-1-イル (3aS,5aR,6S,9aR,9bR)-6-[(1R)-1-(アセチルオキシ)-2-[(1R,2S)-2-{[(tert-ブチルジフェニルシリル)オキシ]メチル}-1-メチル-5-オキソシクロペンチル]エチル]-5a-ホルミル-8-ヒドロキシ-2,2-ジメチル-5-オキソ-2H,3aH,4H,5H,5aH,6H,7H,9aH,9bH-ナフト[1,2-d][1,3]ジオキソール-9-カルボキシラート
  • prop-2-en-1-yl (3aS,5aR,6S,9aR,9bR)-6-[(1R)-1-(acetyloxy)-2-[(1R,2S)-2-{[(tert-butyldiphenylsilyl)oxy]methyl}-1-methyl-5-oxocyclopentyl]ethyl]-5a-formyl-8-hydroxy-2,2-dimethyl-5-oxo-2H,3aH,4H,5H,5aH,6H,7H,9aH,9bH-naphtho[1,2-d][1,3]dioxole-9-carboxylate
Other name (1):
  • 1,14,19-Trioxo-3β,4β-[isopropylidenebis(oxy)]-7-hydroxy-11α-acetoxy-17β-[(tert-butyldiphenylsiloxy)methyl]-8,14-seco-5β-androsta-6-ene-6-carboxylic acid allyl ester
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