| SpectraBase Compound ID | GVXhE1fruoD |
|---|---|
| InChI | InChI=1S/C51H50O21/c1-29(52)68-48-47(63)45(61)39(26-65-42(58)23-13-33-9-20-37(56)38(25-33)64-2)69-50(48)72-51(28-67-43(59)22-11-31-5-16-35(54)17-6-31)49(70-44(60)24-12-32-7-18-36(55)19-8-32)46(62)40(71-51)27-66-41(57)21-10-30-3-14-34(53)15-4-30/h3-25,39-40,45-50,53-56,61-63H,26-28H2,1-2H3/b21-10+,22-11+,23-13+,24-12+/t39-,40-,45-,46-,47+,48-,49+,50-,51+/m1/s1 |
| InChIKey | RNXDQKHOEWIRNH-MNQPQWAHSA-N |
| Mol Weight | 998.9 g/mol |
| Molecular Formula | C51H50O21 |
| Exact Mass | 998.284459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6SpBw7BXfbx |
|---|---|
| Name | VANICOSIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H50O21 |
| InChI | InChI=1S/C51H50O21/c1-29(52)68-48-47(63)45(61)39(26-65-42(58)23-13-33-9-20-37(56)38(25-33)64-2)69-50(48)72-51(28-67-43(59)22-11-31-5-16-35(54)17-6-31)49(70-44(60)24-12-32-7-18-36(55)19-8-32)46(62)40(71-51)27-66-41(57)21-10-30-3-14-34(53)15-4-30/h3-25,39-40,45-50,53-56,61-63H,26-28H2,1-2H3/b21-10+,22-11+,23-13+,24-12+/t39-,40-,45-,46-,47+,48-,49+,50-,51+/m1/s1 |
| InChIKey | RNXDQKHOEWIRNH-MNQPQWAHSA-N |
| Literature Reference Author | M.L.ZIMMERMANN,A.T.SNEDEN |
| Literature Reference Citation | J.NAT.PROD.,57,236(1994) |
| Literature Reference DOI | 10.1021/np50104a007 |
| Molecular Weight | 998.945 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWTS2520 |