Chem
J-GLOBAL ID：202107009641566350   Nikkaji number：J3.759.257I

(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl N-(2-{[3,4,5-tris({2-[2-(2-methoxyethoxy)ethoxy]ethoxy})phenyl]formamido}ethyl)carbamate

(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-シクロペンタ[a]フェナントレン-7-イルN-(2-{[3,4,5-トリス({2-[2-(2-メトキシエトキシ)エトキシ]エトキシ})フェニル]ホルムアミド}エチル)カルバマート
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： C58H98N2O15
Molecular formula furigana： C58-H98-N2-O15
Molecular weight： 1063.421
InChI： InChI=1S/C58H98N2O15/c1-43(2)10-9-11-44(3)49-14-15-50-48-13-12-46-42-47(16-18-57(46,4)51(48)17-19-58(49,50)5)75-56(62)60-21-20-59-55(61)45-40-52(72-37-34-69-31-28-66-25-22-63-6)54(74-39-36-71-33-30-68-27-24-65-8)53(41-45)73-38-35-70-32-29-67-26-23-64-7/h12,40-41,43-44,47-51H,9-11,13-39,42H2,1-8H3,(H,59,61)(H,60,62)/t44-,47+,48+,49-,50+,51+,57+,58-/m1/s1
InChI key： DPMAUPDQBGZTHJ-QAMANEMHSA-N
SMILES： N(C(=O)O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@H]([C@@H](CCCC(C)C)C)[C@]4(CC[C@@H]3[C@]2(CC1)C)C)CCNC(=O)c1cc(c(c(c1)OCCOCCOCCOC)OCCOCCOCCOC)OCCOCCOCCOC
Systematic name  (3)：
  • [2-[[3,4,5-トリス[2-[2-(2-メトキシエトキシ)エトキシ]エトキシ]ベンゾイル]アミノ]エチル]カルバミド酸(3S)-コレスタ-5-エン-3-イル
  • (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-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N-(2-{[3,4,5-トリス({2-[2-(2-メトキシエトキシ)エトキシ]エトキシ})フェニル]ホルムアミド}エチル)カルバマート
  • (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl N-(2-{[3,4,5-tris({2-[2-(2-methoxyethoxy)ethoxy]ethoxy})phenyl]formamido}ethyl)carbamate
Other name (2)：
  • (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-シクロペンタ[a]フェナントレン-7-イルN-(2-{[3,4,5-トリス({2-[2-(2-メトキシエトキシ)エトキシ]エトキシ})フェニル]ホルムアミド}エチル)カルバマート
  • (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl N-(2-{[3,4,5-tris({2-[2-(2-methoxyethoxy)ethoxy]ethoxy})phenyl]formamido}ethyl)carbamate
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