| SpectraBase Compound ID | DyqyTthvPzS |
|---|---|
| InChI | InChI=1S/C45H76O18/c1-19(18-57-40-36(53)34(51)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-38(55)35(52)39(29(17-47)61-42)62-41-37(54)33(50)31(48)21(3)58-41/h19-42,46-56H,6-18H2,1-5H3/t19-,20-,21+,22+,23-,24+,25-,26-,27-,28-,29+,30-,31+,32-,33-,34+,35+,36-,37-,38+,39+,40-,41+,42+,43?,44?,45+/m0/s1 |
| InChIKey | BVEZUEKINAKLPN-HYXPVSBDSA-N |
| Mol Weight | 905.1 g/mol |
| Molecular Formula | C45H76O18 |
| Exact Mass | 904.503166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8voI6GuThA5 |
|---|---|
| Name | #21;ASPACOCHIOSIDE-A;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,22-ALPHA,26-TRIHYDROXY-(25S)-5-BETA-FUROSTANE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H76O18 |
| InChI | InChI=1S/C45H76O18/c1-19(18-57-40-36(53)34(51)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-38(55)35(52)39(29(17-47)61-42)62-41-37(54)33(50)31(48)21(3)58-41/h19-42,46-56H,6-18H2,1-5H3/t19-,20-,21+,22+,23-,24+,25-,26-,27-,28-,29+,30-,31+,32-,33-,34+,35+,36-,37-,38+,39+,40-,41+,42+,43?,44?,45+/m0/s1 |
| InChIKey | BVEZUEKINAKLPN-HYXPVSBDSA-N |
| Literature Reference Author | P.K.AGRAWAL |
| Literature Reference Citation | STEROIDS,70,715(2005) |
| Literature Reference DOI | 10.1016/j.steroids.2005.04.001 |
| Molecular Weight | 905.088 g/mol |
| Sample ID | 968766 |
| Solvent | C5D5N |