Chem
J-GLOBAL ID：202107020592342738   Nikkaji number：J3.759.258G

(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-{[3,5-bis({[3,4,5-tris({2-[2-(2-methoxyethoxy)ethoxy]ethoxy})phenyl]methoxy})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-{[3,5-ビス({[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]メトキシ})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： C93H152N2O29
Molecular formula furigana： C93-H152-N2-O29
Molecular weight： 1762.224
InChI： InChI=1S/C93H152N2O29/c1-71(2)13-12-14-72(3)81-17-18-82-80-16-15-76-67-77(19-21-92(76,4)83(80)20-22-93(81,82)5)124-91(97)95-24-23-94-90(96)75-65-78(122-69-73-61-84(116-55-49-110-43-37-104-31-25-98-6)88(120-59-53-114-47-41-108-35-29-102-10)85(62-73)117-56-50-111-44-38-105-32-26-99-7)68-79(66-75)123-70-74-63-86(118-57-51-112-45-39-106-33-27-100-8)89(121-60-54-115-48-42-109-36-30-103-11)87(64-74)119-58-52-113-46-40-107-34-28-101-9/h15,61-66,68,71-72,77,80-83H,12-14,16-60,67,69-70H2,1-11H3,(H,94,96)(H,95,97)/t72-,77+,80+,81-,82+,83+,92+,93-/m1/s1
InChI key： XCRDYFKQJKXWBE-MZVJNQLESA-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(cc(c1)OCc1cc(c(c(c1)OCCOCCOCCOC)OCCOCCOCCOC)OCCOCCOCCOC)OCc1cc(c(c(c1)OCCOCCOCCOC)OCCOCCOCCOC)OCCOCCOCCOC
Systematic name  (3)：
  • [2-[[3,5-ビス[[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]ベンジル]オキシ]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-{[3,5-ビス({[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]メトキシ})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-{[3,5-bis({[3,4,5-tris({2-[2-(2-methoxyethoxy)ethoxy]ethoxy})phenyl]methoxy})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-{[3,5-ビス({[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]メトキシ})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-{[3,5-bis({[3,4,5-tris({2-[2-(2-methoxyethoxy)ethoxy]ethoxy})phenyl]methoxy})phenyl]formamido}ethyl)carbamate
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