Chem
J-GLOBAL ID：201807018495356864   Nikkaji number：J3.725.250F

N-[2-(Cholesta-5-ene-3β-yloxycarbonylamino)ethyl]-3,5-bis[3,4,5-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]benzyloxy]benzamide

N-[2-(コレスタ-5-エン-3β-イルオキシカルボニルアミノ)エチル]-3,5-ビス[3,4,5-トリス[2-[2-(2-エトキシエトキシ)エトキシ]エトキシ]ベンジルオキシ]ベンズアミド
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： C99H164N2O29
Molecular formula furigana： C99-H164-N2-O29
Molecular weight： 1846.386
InChI： InChI=1S/C99H164N2O29/c1-12-104-31-37-110-43-49-116-55-61-122-90-67-79(68-91(123-62-56-117-50-44-111-38-32-105-13-2)94(90)126-65-59-120-53-47-114-41-35-108-16-5)75-128-84-71-81(96(102)100-29-30-101-97(103)130-83-25-27-98(10)82(73-83)21-22-86-88-24-23-87(78(9)20-18-19-77(7)8)99(88,11)28-26-89(86)98)72-85(74-84)129-76-80-69-92(124-63-57-118-51-45-112-39-33-106-14-3)95(127-66-60-121-54-48-115-42-36-109-17-6)93(70-80)125-64-58-119-52-46-113-40-34-107-15-4/h21,67-72,74,77-78,83,86-89H,12-20,22-66,73,75-76H2,1-11H3,(H,100,102)(H,101,103)/t78-,83+,86+,87-,88+,89+,98+,99-/m1/s1
InChI key： DEMOCWVYIFXBMX-PDTGMLNESA-N
SMILES： CCOCCOCCOCCOc1cc(COc2cc(OCc3cc(OCCOCCOCCOCC)c(OCCOCCOCCOCC)c(OCCOCCOCCOCC)c3)cc(c2)C(=O)NCCNC(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CC=C3C2)[C@H](C)CCCC(C)C)cc(OCCOCCOCCOCC)c1OCCOCCOCCOCC
Systematic name  (3)：
  • N-[2-(コレスタ-5-エン-3β-イルオキシカルボニルアミノ)エチル]-3,5-ビス[3,4,5-トリス[2-[2-(2-エトキシエトキシ)エトキシ]エトキシ]ベンジルオキシ]ベンズアミド
  • (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-エトキシエトキシ)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-ethoxyethoxy)ethoxy]ethoxy})phenyl]methoxy})phenyl]formamido}ethyl)carbamate
Other name (1)：
  • N-[2-(Cholesta-5-ene-3β-yloxycarbonylamino)ethyl]-3,5-bis[3,4,5-tris[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]benzyloxy]benzamide
Thsaurus map：
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