Chem
J-GLOBAL ID:200907017756951742   Nikkaji number:J862.015F

7,16-Bis[12-[16-[2-[(5ξ-cholestan-3-yl)oxy]ethyl]-7,16-diaza-1,4,10,13-tetraoxacyclooctadecan-6-yl]dodecyl]-7,16-diaza-1,4,10,13-tetraoxacyclooctadecane

7,16-ビス[12-[16-[2-[(5ξ-コレスタン-3-イル)オキシ]エチル]-7,16-ジアザ-1,4,10,13-テトラオキサシクロオクタデカン-6-イル]ドデシル]-7,16-ジアザ-1,4,10,13-テトラオキサシクロオクタデカン
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: C118H222N6O14
Molecular formula furigana: C118-H222-N6-O14
Molecular weight: 1949.102
InChI: InChI=1S/C118H222N6O14/c1-97(2)33-31-35-99(5)109-43-45-111-107-41-39-101-93-105(47-51-115(101,7)113(107)49-53-117(109,111)9)137-79-67-123-63-75-131-83-81-125-69-55-119-103(95-135-91-89-133-77-65-123)37-27-23-19-15-11-13-17-21-25-29-57-121-59-71-127-85-87-129-73-61-122(62-74-130-88-86-128-72-60-121)58-30-26-22-18-14-12-16-20-24-28-38-104-96-136-92-90-134-78-66-124(64-76-132-84-82-126-70-56-120-104)68-80-138-106-48-52-116(8)102(94-106)40-42-108-112-46-44-110(100(6)36-32-34-98(3)4)118(112,10)54-50-114(108)116/h97-114,119-120H,11-96H2,1-10H3/t99-,100-,101?,102?,103?,104?,105?,106?,107+,108+,109-,110-,111+,112+,113+,114+,115+,116+,117-,118-/m1/s1
InChI key: IOADQOZYMPMPCG-IZDBQWSASA-N
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(CC[C@]4(C)[C@H]3CC[C@]12C)OCCN1CCOCCOCCNC(CCCCCCCCCCCCN2CCOCCOCCN(CCCCCCCCCCCCC3COCCOCCN(CCOC4CC[C@@]5(C)C(CC[C@H]6[C@@H]7CC[C@H]([C@H](C)CCCC(C)C)[C@@]7(C)CC[C@H]56)C4)CCOCCOCCN3)CCOCCOCC2)COCCOCC1
Systematic name  (3):
  • 7,16-ビス[12-[16-[2-[(5ξ-コレスタン-3-イル)オキシ]エチル]-7,16-ジアザ-1,4,10,13-テトラオキサシクロオクタデカン-6-イル]ドデシル]-7,16-ジアザ-1,4,10,13-テトラオキサシクロオクタデカン
  • 16-(2-{[(1R,3aS,3bR,9aS,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル]オキシ}エチル)-6-[12-(16-{12-[16-(2-{[(1R,3aS,3bR,9aS,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル]オキシ}エチル)-1,4,10,13-テトラオキサ-7,16-ジアザシクロオクタデカン-6-イル]ドデシル}-1,4,10,13-テトラオキサ-7,16-ジアザシクロオクタデカン-7-イル)ドデシル]-1,4,10,13-テトラオキサ-7,16-ジアザシクロオクタデカン
  • 16-(2-{[(1R,3aS,3bR,9aS,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}ethyl)-6-[12-(16-{12-[16-(2-{[(1R,3aS,3bR,9aS,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}ethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-6-yl]dodecyl}-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
Other name (1):
  • 7,16-Bis[12-[16-[2-[(5ξ-cholestan-3-yl)oxy]ethyl]-7,16-diaza-1,4,10,13-tetraoxacyclooctadecan-6-yl]dodecyl]-7,16-diaza-1,4,10,13-tetraoxacyclooctadecane
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