| SpectraBase Compound ID | La3BNYMHyeJ |
|---|---|
| InChI | InChI=1S/C65H64O28/c1-36(66)82-48-21-10-44(11-22-48)17-28-55(74)80-34-54-60(87-41(6)71)63(91-58(77)31-19-46-14-25-50(26-15-46)84-38(3)68)65(92-54,35-81-57(76)29-18-45-12-23-49(24-13-45)83-37(2)67)93-64-62(89-43(8)73)61(88-42(7)72)59(86-40(5)70)53(90-64)33-79-56(75)30-20-47-16-27-51(85-39(4)69)52(32-47)78-9/h10-32,53-54,59-64H,33-35H2,1-9H3/b28-17+,29-18+,30-20+,31-19+/t53-,54-,59-,60-,61+,62-,63+,64-,65+/m1/s1 |
| InChIKey | OGRZNLJRVPCWTD-RHVXMPOYSA-N |
| Mol Weight | 1293.2 g/mol |
| Molecular Formula | C65H64O28 |
| Exact Mass | 1292.358411 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CuuNOiyoJs4 |
|---|---|
| Name | VANICOSIDE-B-OCTAACETATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H64O28 |
| InChI | InChI=1S/C65H64O28/c1-36(66)82-48-21-10-44(11-22-48)17-28-55(74)80-34-54-60(87-41(6)71)63(91-58(77)31-19-46-14-25-50(26-15-46)84-38(3)68)65(92-54,35-81-57(76)29-18-45-12-23-49(24-13-45)83-37(2)67)93-64-62(89-43(8)73)61(88-42(7)72)59(86-40(5)70)53(90-64)33-79-56(75)30-20-47-16-27-51(85-39(4)69)52(32-47)78-9/h10-32,53-54,59-64H,33-35H2,1-9H3/b28-17+,29-18+,30-20+,31-19+/t53-,54-,59-,60-,61+,62-,63+,64-,65+/m1/s1 |
| InChIKey | OGRZNLJRVPCWTD-RHVXMPOYSA-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 | 1293.206 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWTS2522 |