Chem
J-GLOBAL ID:200907000634682597   Nikkaji number:J1.734.857D

2,8,14,20-Tetramethyl-4,24-(methylenebisoxy)-6,10-(methylenebisoxy)-12,16-(methylenebisoxy)-18,22-(methylenebisoxy)-5,11,17,23-tetrakis[3aβ,6aβ-diundecyl-1,6-propano-2,5(1H,3H)-dioxo-3a,4,6,6a-tetrahydroimidazo[4,5-d]imidazole-8α-ylcarbonyloxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene

2,8,14,20-テトラメチル-4,24-(メチレンビスオキシ)-6,10-(メチレンビスオキシ)-12,16-(メチレンビスオキシ)-18,22-(メチレンビスオキシ)-5,11,17,23-テトラキス[3aβ,6aβ-ジウンデシル-1,6-プロパノ-2,5(1H,3H)-ジオキソ-3a,4,6,6a-テトラヒドロイミダゾ[4,5-d]イミダゾール-8α-イルカルボニルオキシ]ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
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: C156H240N16O24
Molecular formula furigana: C156-H240-N16-O24
Molecular weight: 2723.724
InChI: InChI=1S/C156H240N16O24/c1-13-21-29-37-45-53-61-69-77-85-149-153(89-81-73-65-57-49-41-33-25-17-5)165(141(177)157-149)97-113(98-166(153)142(178)158-149)137(173)193-133-125-117-93-118-110(10)120-95-122-112(12)124-96-123-111(11)121-94-119(109(117)9)127(187-105-185-125)134(194-138(174)114-99-167-143(179)159-150(86-78-70-62-54-46-38-30-22-14-2)154(167,168(100-114)144(180)160-150)90-82-74-66-58-50-42-34-26-18-6)129(121)189-107-191-131(123)136(196-140(176)116-103-171-147(183)163-152(88-80-72-64-56-48-40-32-24-16-4)156(171,172(104-116)148(184)164-152)92-84-76-68-60-52-44-36-28-20-8)132(124)192-108-190-130(122)135(128(120)188-106-186-126(118)133)195-139(175)115-101-169-145(181)161-151(87-79-71-63-55-47-39-31-23-15-3)155(169,170(102-115)146(182)162-151)91-83-75-67-59-51-43-35-27-19-7/h93-96,109-116H,13-92,97-108H2,1-12H3,(H,157,177)(H,158,178)(H,159,179)(H,160,180)(H,161,181)(H,162,182)(H,163,183)(H,164,184)
InChI key: SRHQNZYNQZCCEK-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCC12NC(=O)N3CC(CN(C(=O)N1)C23CCCCCCCCCCC)C(=O)Oc1c2OCOc3c(OC(=O)C4CN5C(=O)NC6(CCCCCCCCCCC)NC(=O)N(C4)C56CCCCCCCCCCC)c4OCOc5c(OC(=O)C6CN7C(=O)NC8(CCCCCCCCCCC)NC(=O)N(C6)C78CCCCCCCCCCC)c6OCOc7c(OC(=O)C8CN9C(=O)NC%10(CCCCCCCCCCC)NC(=O)N(C8)C9%10CCCCCCCCCCC)c8OCOc1c1cc2C(C)c3cc4C(C)c5cc6C(C)c7cc8C1C
Systematic name  (3):
  • 2,8,14,20-テトラメチル-4,24-(メチレンビスオキシ)-6,10-(メチレンビスオキシ)-12,16-(メチレンビスオキシ)-18,22-(メチレンビスオキシ)-5,11,17,23-テトラキス[3aβ,6aβ-ジウンデシル-1,6-プロパノ-2,5(1H,3H)-ジオキソ-3a,4,6,6a-テトラヒドロイミダゾ[4,5-d]イミダゾール-8α-イルカルボニルオキシ]ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
  • 12,18,39-トリス({2,6-ジオキソ-4,11-ジウンデシル-1,3,5,7-テトラアザトリシクロ[5.3.1.04,11]ウンデカン-9-カルボニルオキシ})-25,29,33,37-テトラメチル-2,4,8,10,14,16,20,22-オクタオキサノナシクロ[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]テトラコンタ-1(39),5,7(34),11(32),12,17(28),18,23,26,30,35,38(40)-ドデカエン-6-イル 2,6-ジオキソ-4,11-ジウンデシル-1,3,5,7-テトラアザトリシクロ[5.3.1.04,11]ウンデカン-9-カルボキシラート
  • 12,18,39-tris({2,6-dioxo-4,11-diundecyl-1,3,5,7-tetraazatricyclo[5.3.1.04,11]undecane-9-carbonyloxy})-25,29,33,37-tetramethyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11(32),12,17(28),18,23,26,30,35,38(40)-dodecaen-6-yl 2,6-dioxo-4,11-diundecyl-1,3,5,7-tetraazatricyclo[5.3.1.04,11]undecane-9-carboxylate
Other name (1):
  • 2,8,14,20-Tetramethyl-4,24-(methylenebisoxy)-6,10-(methylenebisoxy)-12,16-(methylenebisoxy)-18,22-(methylenebisoxy)-5,11,17,23-tetrakis[3aβ,6aβ-diundecyl-1,6-propano-2,5(1H,3H)-dioxo-3a,4,6,6a-tetrahydroimidazo[4,5-d]imidazole-8α-ylcarbonyloxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene
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