| SpectraBase Compound ID | HU9YWTuVRLu |
|---|---|
| InChI | InChI=1S/C60H74N2O26/c1-13-36-38(42(55(71)73-11)24-77-57(36)87-59-53(83-34(9)69)51(81-32(7)67)49(79-30(5)65)46(85-59)26-75-28(3)63)19-21-62-22-20-40-39-17-15-16-18-44(39)61-48(40)45(62)23-41-37(14-2)58(78-25-43(41)56(72)74-12)88-60-54(84-35(10)70)52(82-33(8)68)50(80-31(6)66)47(86-60)27-76-29(4)64/h13-18,24-25,36-38,41,45-47,49-54,57-61H,1-2,19-23,26-27H2,3-12H3/t36-,37+,38+,41-,45-,46-,47+,49-,50+,51+,52-,53-,54+,57+,58-,59+,60-/m0/s1 |
| InChIKey | WVHFODGFKNWSJH-FTMVMCSPSA-N |
| Mol Weight | 1239.2 g/mol |
| Molecular Formula | C60H74N2O26 |
| Exact Mass | 1238.45298 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KCr2VgtO6nl |
|---|---|
| Name | BAHIENOSIDE-A-OCTAACETYLATED |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H74N2O26 |
| InChI | InChI=1S/C60H74N2O26/c1-13-36-38(42(55(71)73-11)24-77-57(36)87-59-53(83-34(9)69)51(81-32(7)67)49(79-30(5)65)46(85-59)26-75-28(3)63)19-21-62-22-20-40-39-17-15-16-18-44(39)61-48(40)45(62)23-41-37(14-2)58(78-25-43(41)56(72)74-12)88-60-54(84-35(10)70)52(82-33(8)68)50(80-31(6)66)47(86-60)27-76-29(4)64/h13-18,24-25,36-38,41,45-47,49-54,57-61H,1-2,19-23,26-27H2,3-12H3/t36-,37+,38+,41-,45-,46-,47+,49-,50+,51+,52-,53-,54+,57+,58-,59+,60-/m0/s1 |
| InChIKey | WVHFODGFKNWSJH-FTMVMCSPSA-N |
| Literature Reference Author | J.H.A.PAUL,A.R.MAXWELL,W.F.REYNOLDS |
| Literature Reference Citation | J.NAT.PROD.,66,752(2003) |
| Literature Reference DOI | 10.1021/np020554a |
| Molecular Weight | 1239.245 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI7828 |