Chem
J-GLOBAL ID:200907025161917691   Nikkaji number:J1.544.410J

Bis[3-[4-[[6-(acryloyloxy)hexyl]oxy]phenyl]propanoic acid]20-oxopregna-5-ene-3β,21-diyl ester

ビス[3-[4-[[6-(アクリロイルオキシ)ヘキシル]オキシ]フェニル]プロパン酸]20-オキソプレグナ-5-エン-3β,21-ジイル
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: C57H76O11
Molecular formula furigana: C57-H76-O11
Molecular weight: 937.224
InChI: InChI=1S/C57H76O11/c1-5-52(59)65-37-13-9-7-11-35-63-44-22-15-41(16-23-44)19-29-54(61)67-40-51(58)50-28-27-48-47-26-21-43-39-46(31-33-56(43,3)49(47)32-34-57(48,50)4)68-55(62)30-20-42-17-24-45(25-18-42)64-36-12-8-10-14-38-66-53(60)6-2/h5-6,15-18,21-25,46-50H,1-2,7-14,19-20,26-40H2,3-4H3/t46-,47-,48-,49-,50+,56-,57-/m0/s1
InChI key: PSTNWJZSSKGCFG-PYMOGNNTSA-N
SMILES: C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OC(=O)CCc3ccc(OCCCCCCOC(=O)C=C)cc3)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCc1ccc(OCCCCCCOC(=O)C=C)cc1
Systematic name  (3):
  • ビス[3-[4-[[6-(アクリロイルオキシ)ヘキシル]オキシ]フェニル]プロパン酸]20-オキソプレグナ-5-エン-3β,21-ジイル
  • 6-[4-(3-{[(1S,3aS,3bS,7S,9aR,9bS,11aS)-9a,11a-ジメチル-1-(2-{[3-(4-{[6-(プロパ-2-エノイルオキシ)ヘキシル]オキシ}フェニル)プロパノイル]オキシ}アセチル)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル]オキシ}-3-オキソプロピル)フェノキシ]ヘキシル プロパ-2-エノアート
  • 6-[4-(3-{[(1S,3aS,3bS,7S,9aR,9bS,11aS)-9a,11a-dimethyl-1-(2-{[3-(4-{[6-(prop-2-enoyloxy)hexyl]oxy}phenyl)propanoyl]oxy}acetyl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3-oxopropyl)phenoxy]hexyl prop-2-enoate
Other name (1):
  • Bis[3-[4-[[6-(acryloyloxy)hexyl]oxy]phenyl]propanoic acid]20-oxopregna-5-ene-3β,21-diyl ester
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