2,2-Bis[4-(per-O-methyl-alpha-cyclodextrin-6-yloxy)phenyl]propane

Name: 2,2-Bis[4-(per-O-methyl-alpha-cyclodextrin-6-yloxy)phenyl]propane
SKU: ACMA00014233
Rating: 5 (1 reviews)

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Catalog NumberACMA00014233

CategoryMacrocycles

IUPAC Name

5-[[4-[2-[4-[[20,25-diethoxy-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,30-tris(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-5-yl]methoxy]phenyl]propan-2-yl]phenyl]methoxymethyl]-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-10,15,20,25,30-pentakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane

Molecular Weight

2628.9g/mol

Molecular Formula

C122H202O60

Canonical SMILES

CCOC1C2C(C(C(O1)OC3C(C(C(OC4C(OC(C(C4OC)OC)OC5C(OC(C(C5OC)OC)OC6C(OC(C(C6OC)OC)OC7C(OC(O2)C(C7OC)OC)COC)COC8=CC=C(C=C8)C(C)(C)C9=CC=C(C=C9)COCC1C2C(C(C(O1)OC1C(OC(C(C1OC)OC)OC1C(OC(C(C1OC)OC)OC1C(OC(C(C1OC)OC)OC1C(OC(C(C1OC)OC)OC1C(OC(O2)C(C1OC)OC)COC)COC)COC)COC)COC)OC)OC)COC)COC)OC3OCC)OC)OC)OC)OC

InChI

InChI=1S/C122H202O60/c1-37-156-108-106-93(142-24)105(154-36)121(182-108)180-107-92(141-23)104(153-35)120(181-109(107)157-38-2)178-79-69(55-130-12)165-114(100(149-31)89(79)138-20)173-76-66(52-127-9)164-116(99(148-30)86(76)135-17)177-81-71(168-118(102(151-33)91(81)140-22)175-78-68(54-129-11)166-119(179-106)103(152-34)88(78)137-19)57-158-61-45-43-60(44-46-61)122(3,4)59-41-39-58(40-42-59)47-155-56-70-80-90(139-21)101(150-32)117(167-70)174-77-67(53-128-10)162-113(97(146-28)87(77)136-18)171-74-64(50-125-7)160-111(95(144-26)84(74)133-15)169-72-62(48-123-5)159-110(94(143-25)82(72)131-13)170-73-63(49-124-6)161-112(96(145-27)83(73)132-14)172-75-65(51-126-8)163-115(176-80)98(147-29)85(75)134-16/h39-46,62-121H,37-38,47-57H2,1-36H3

InChI Key

FBMDDIIEPALNFE-UHFFFAOYSA-N

Complexity

4680

Covalently-Bonded Unit Count

Exact Mass

2628.278888g/mol

Formal Charge

Heavy Atom Count

182

Monoisotopic Mass

2627.275534g/mol