Cyclomaltoheptaose-1-Adamantanemethanol
[CAS# 101412-93-5]

Identification

• Name: Cyclomaltoheptaose-1-Adamantanemethanol
• Synonyms: Cyclomaltoheptaose-1-Adamantanemethanol; Beta-Cyclodextrin, Compd. With Tricyclo(3.3.1.13,7)Decane-1-Methanol (1:1), Trihydrate
• Molecular Formula: C₅₃H₉₄O₃₉
• Molecular Weight: 1355.30
• CAS Registry Number: 101412-93-5
• SMILES: O1[C@H]8C(O)C(O)[C@@H](O[C@H]7C(O)C(O)[C@@H](O[C@H]6C(O)C(O)[C@@H](O[C@H]5C(O)C(O)[C@@H](O[C@H]4C(O)C(O)[C@@H](O[C@H]3C(O)C(O)[C@@H](O[C@H]2C(O)C(O)[C@@H]1OC2CO)OC3CO)OC4CO)OC5CO)OC6CO)OC7CO)OC8CO.C(O)C9%10CC%11CC(C9)CC(C%10)C%11.O.O.O
• InChI: 1S/C42H70O35.C11H18O.3H2O/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51;12-7-11-4-8-1-9(5-11)3-10(2-8)6-11;;;/h8-63H,1-7H2;8-10,12H,1-7H2;3*1H2/t8?,9?,10?,11?,12?,13?,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-;;;;/m1..../s1
• InChIKey: NXYKOJRRZLCQBW-DCNYAWAYSA-N

Properties

• Boiling point: 1541.2°C at 760 mmHg (Cal.)
• Flash point: 885.9°C (Cal.)