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2-[(7-ALPHA-O-10-METHYL-7-ISOALLOXAZINO)-METHYL]-ALPHA-CYCLODEXTRIN
SpectraBase Compound ID LxbCAShk3nT
InChI InChI=1S/C48H68N4O32/c1-52-14-3-2-12(4-13(14)49-21-40(52)50-48(71)51-41(21)70)11-72-39-32(69)38-20(10-58)78-47(39)84-37-19(9-57)77-45(31(68)26(37)63)82-35-17(7-55)75-43(29(66)24(35)61)80-33-15(5-53)73-42(27(64)22(33)59)79-34-16(6-54)74-44(28(65)23(34)60)81-36-18(8-56)76-46(83-38)30(67)25(36)62/h2-4,15-20,22-39,42-47,53-69H,5-11H2,1H3,(H,51,70,71)/t15-,16+,17+,18-,19-,20+,22-,23+,24+,25-,26-,27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,37-,38+,39+,42-,43+,44+,45-,46-,47+/m0/s1
InChIKey HDYAHZAGVPCTOY-QAYYORFKSA-N
Mol Weight 1213.1 g/mol
Molecular Formula C48H68N4O32
Exact Mass 1212.381666 g/mol
Enantiomer InChIKey HDYAHZAGVPCTOY-KKKFKBFCSA-N
Unknown Identification

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