| SpectraBase Compound ID | Dp1HQ48dkX4 |
|---|---|
| InChI | InChI=1S/C77H112O63/c1-106-57-50-29(8-113-15-36(78)79)127-71(64(57)120-22-43(92)93)135-51-30(9-114-16-37(80)81)129-73(66(58(51)107-2)122-24-45(96)97)137-53-32(11-116-18-39(84)85)131-75(68(60(53)109-4)124-26-47(100)101)139-55-34(13-118-20-41(88)89)133-77(70(62(55)111-6)126-28-49(104)105)140-56-35(14-119-21-42(90)91)132-76(69(63(56)112-7)125-27-48(102)103)138-54-33(12-117-19-40(86)87)130-74(67(61(54)110-5)123-25-46(98)99)136-52-31(10-115-17-38(82)83)128-72(134-50)65(59(52)108-3)121-23-44(94)95/h29-35,50-77H,8-28H2,1-7H3,(H,78,79)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,104,105)/t29-,30-,31-,32-,33-,34-,35-,50-,51-,52-,53-,54-,55-,56-,57+,58+,59+,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-/m1/s1 |
| InChIKey | BPLPSRMTSJTKBV-WALXZLGKSA-N |
| Mol Weight | 2045.7 g/mol |
| Molecular Formula | C77H112O63 |
| Exact Mass | 2044.556025 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JCAgrJIQbbe |
|---|---|
| Name | HEPTAKIS-(2,6-DI-O-CARBOXYMETHYL-3-O-METHYL)-BETA-CYCLODEXTRIN |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C77H112O63 |
| InChI | InChI=1S/C77H112O63/c1-106-57-50-29(8-113-15-36(78)79)127-71(64(57)120-22-43(92)93)135-51-30(9-114-16-37(80)81)129-73(66(58(51)107-2)122-24-45(96)97)137-53-32(11-116-18-39(84)85)131-75(68(60(53)109-4)124-26-47(100)101)139-55-34(13-118-20-41(88)89)133-77(70(62(55)111-6)126-28-49(104)105)140-56-35(14-119-21-42(90)91)132-76(69(63(56)112-7)125-27-48(102)103)138-54-33(12-117-19-40(86)87)130-74(67(61(54)110-5)123-25-46(98)99)136-52-31(10-115-17-38(82)83)128-72(134-50)65(59(52)108-3)121-23-44(94)95/h29-35,50-77H,8-28H2,1-7H3,(H,78,79)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,104,105)/t29-,30-,31-,32-,33-,34-,35-,50-,51-,52-,53-,54-,55-,56-,57+,58+,59+,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-/m1/s1 |
| InChIKey | BPLPSRMTSJTKBV-WALXZLGKSA-N |
| Literature Reference Author | T.KRAUS,M.BUDESINSKY,J.ZAVADA |
| Literature Reference Citation | J.ORG.CHEM.,66,4595(2001) |
| Literature Reference DOI | 10.1021/jo010046q |
| Molecular Weight | 2045.698 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS28040 |