| SpectraBase Compound ID | AQKIejOvcqy |
|---|---|
| InChI | InChI=1S/C55H96O23/c1-8-12-13-14-15-18-21-27-34(28-22-19-16-17-20-26-31(5)57)71-54-49(44(65)42(63)35(29-56)72-54)77-55-51(78-53-46(67)48(41(62)33(7)70-53)75-38(59)24-10-3)50(76-39(60)25-11-4)47(74-37(58)23-9-2)36(73-55)30-68-52-45(66)43(64)40(61)32(6)69-52/h32-36,40-56,61-67H,8-30H2,1-7H3/t32-,33+,34+,35+,36+,40+,41+,42+,43+,44-,45+,46+,47+,48-,49+,50-,51+,52-,53+,54+,55-/m1/s1 |
| InChIKey | UPKCWUQFRPJDKU-YOFVIGQRSA-N |
| Mol Weight | 1125.3 g/mol |
| Molecular Formula | C55H96O23 |
| Exact Mass | 1124.634239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FdZAWur6M7Z |
|---|---|
| Name | CAMINOSIDE_D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H96O23 |
| InChI | InChI=1S/C55H96O23/c1-8-12-13-14-15-18-21-27-34(28-22-19-16-17-20-26-31(5)57)71-54-49(44(65)42(63)35(29-56)72-54)77-55-51(78-53-46(67)48(41(62)33(7)70-53)75-38(59)24-10-3)50(76-39(60)25-11-4)47(74-37(58)23-9-2)36(73-55)30-68-52-45(66)43(64)40(61)32(6)69-52/h32-36,40-56,61-67H,8-30H2,1-7H3/t32-,33+,34+,35+,36+,40+,41+,42+,43+,44-,45+,46+,47+,48-,49+,50-,51+,52-,53+,54+,55-/m1/s1 |
| InChIKey | UPKCWUQFRPJDKU-YOFVIGQRSA-N |
| Literature Reference Author | R.G.LININGTON,M.ROBERTSON,A.GAUTHIER,B.B.FINLAY,J.B.MACMILLA N,T.F.MOLINSKI,R.VAN |
| Literature Reference Citation | J.NAT.PROD.,69,173(2006) |
| Literature Reference DOI | 10.1021/np050192h |
| Molecular Weight | 1125.353 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ18013 |