1,1,1-Tris[4-(per-O-methyl-alpha-cyclodextrin-6-yloxy)phenyl]ethane

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1,1,1-Tris[4-(per-O-methyl-alpha-cyclodextrin-6-yloxy)phenyl]ethane

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Catalog Number

ACMA00014236

Product Name

1,1,1-Tris[4-(per-O-methyl-alpha-cyclodextrin-6-yloxy)phenyl]ethane

Category

Macrocycles

IUPAC Name

5-[4-[1,1-bis[4-[[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]dotetracontan-5-yl]oxy]phenyl]ethyl]phenoxy]-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

3844g/mol

Molecular Formula

C176H288O90

Canonical SMILES

CC(C1=CC=C(C=C1)OC2C3C(C(C(O2)OC4C(OC(C(C4OC)OC)OC5C(OC(C(C5OC)OC)OC6C(OC(C(C6OC)OC)OC7C(OC(C(C7OC)OC)OC8C(OC(O3)C(C8OC)OC)COC)COC)COC)COC)COC)OC)OC)(C9=CC=C(C=C9)OC1C2C(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)C1=CC=C(C=C1)OC1C2C(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

InChI

InChI=1S/C176H288O90/c1-176(80-53-59-83(60-54-80)228-173-152-131(207-32)149(225-50)170(264-173)258-113-98(77-189-14)240-164(143(219-44)128(113)204-29)252-107-92(71-183-8)234-158(137(213-38)122(107)198-23)246-101-86(65-177-2)231-155(134(210-35)116(101)192-17)249-104-89(68-180-5)237-161(140(216-41)119(104)195-20)255-110-95(74-186-11)243-167(261-152)146(222-47)125(110)201-26,81-55-61-84(62-56-81)229-174-153-132(208-33)150(226-51)171(265-174)259-114-99(78-190-15)241-165(144(220-45)129(114)205-30)253-108-93(72-184-9)235-159(138(214-39)123(108)199-24)247-102-87(66-178-3)232-156(135(211-36)117(102)193-18)250-105-90(69-181-6)238-162(141(217-42)120(105)196-21)256-111-96(75-187-12)244-168(262-153)147(223-48)126(111)202-27)82-57-63-85(64-58-82)230-175-154-133(209-34)151(227-52)172(266-175)260-115-100(79-191-16)242-166(145(221-46)130(115)206-31)254-109-94(73-185-10)236-160(139(215-40)124(109)200-25)248-103-88(67-179-4)233-157(136(212-37)118(103)194-19)251-106-91(70-182-7)239-163(142(218-43)121(106)197-22)257-112-97(76-188-13)245-169(263-154)148(224-49)127(112)203-28/h53-64,86-175H,65-79H2,1-52H3

InChI Key

CKCDXOULJCAOMU-UHFFFAOYSA-N

Complexity

6710

Covalently-Bonded Unit Count

Exact Mass

3842.79928g/mol

Formal Charge

Heavy Atom Count

266

Monoisotopic Mass

3841.795925g/mol