beta-Cyclodextrin Perbenzoate

Analyte Name

beta-Cyclodextrin Perbenzoate

CAS Number

23666-43-5

Molecular Formula

C189 H154 O56

Molecular Weight

3321.211

Accurate Mass

3318.92

SMILES

O=C(OCC1OC2OC3C(COC(=O)c4ccccc4)OC(OC5C(COC(=O)c6ccccc6)OC(OC7C(COC(=O)c8ccccc8)OC(OC9C(COC(=O)c%10ccccc%10)OC(OC%11C(COC(=O)c%12ccccc%12)OC(OC%13C(COC(=O)c%14ccccc%14)OC(OC1C(OC(=O)c%15ccccc%15)C2OC(=O)c%16ccccc%16)C(OC(=O)c%17ccccc%17)C%13OC(=O)c%18ccccc%18)C(OC(=O)c%19ccccc%19)C%11OC(=O)c%20ccccc%20)C(OC(=O)c%21ccccc%21)C9OC(=O)c%22ccccc%22)C(OC(=O)c%23ccccc%23)C7OC(=O)c%24ccccc%24)C(OC(=O)c%25ccccc%25)C5OC(=O)c%26ccccc%26)C(OC(=O)c%27ccccc%27)C3OC(=O)c%28ccccc%28)c%29ccccc%29

InChI

InChI=1S/C189H154O56/c190-162(113-64-22-1-23-65-113)211-106-134-141-148(225-169(197)120-78-36-8-37-79-120)155(232-176(204)127-92-50-15-51-93-127)183(218-134)240-142-135(107-212-163(191)114-66-24-2-25-67-114)220-185(157(234-178(206)129-96-54-17-55-97-129)149(142)226-170(198)121-80-38-9-39-81-121)242-144-137(109-214-165(193)116-70-28-4-29-71-116)222-187(159(236-180(208)131-100-58-19-59-101-131)151(144)228-172(200)123-84-42-11-43-85-123)244-146-139(111-216-167(195)118-74-32-6-33-75-118)224-189(161(238-182(210)133-104-62-21-63-105-133)153(146)230-174(202)125-88-46-13-47-89-125)245-147-140(112-217-168(196)119-76-34-7-35-77-119)223-188(160(237-181(209)132-102-60-20-61-103-132)154(147)231-175(203)126-90-48-14-49-91-126)243-145-138(110-215-166(194)117-72-30-5-31-73-117)221-186(158(235-179(207)130-98-56-18-57-99-130)152(145)229-173(201)124-86-44-12-45-87-124)241-143-136(108-213-164(192)115-68-26-3-27-69-115)219-184(239-141)156(233-177(205)128-94-52-16-53-95-128)150(143)227-171(199)122-82-40-10-41-83-122/h1-105,134-161,183-189H,106-112H2

IUPAC

[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecabenzoyloxy-10,15,20,25,30,35-hexakis(benzoyloxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl benzoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat