| SpectraBase Compound ID | APv89G1c2Xl |
|---|---|
| InChI | InChI=1S/C45H72O18/c1-18-30-27(63-45(18)29(48)12-21(15-46)17-56-45)14-26-24-7-6-22-13-23(8-10-43(22,4)25(24)9-11-44(26,30)5)59-42-39(62-41-36(54)34(52)32(50)20(3)58-41)37(55)38(28(16-47)60-42)61-40-35(53)33(51)31(49)19(2)57-40/h6,18-21,23-42,46-55H,7-17H2,1-5H3/t18-,19-,20-,21-,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 | HMDYSOWCVAYVMA-XMDFISBZSA-N |
| Mol Weight | 901.1 g/mol |
| Molecular Formula | C45H72O18 |
| Exact Mass | 900.471865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 48C30kAO6mf |
|---|---|
| Name | BORASSOSIDE-B;23-ALPHA,27-DIHYDROXY-DIOSCIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O18 |
| InChI | InChI=1S/C45H72O18/c1-18-30-27(63-45(18)29(48)12-21(15-46)17-56-45)14-26-24-7-6-22-13-23(8-10-43(22,4)25(24)9-11-44(26,30)5)59-42-39(62-41-36(54)34(52)32(50)20(3)58-41)37(55)38(28(16-47)60-42)61-40-35(53)33(51)31(49)19(2)57-40/h6,18-21,23-42,46-55H,7-17H2,1-5H3/t18-,19-,20-,21-,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 | HMDYSOWCVAYVMA-XMDFISBZSA-N |
| Literature Reference Author | M.YOSHIKAWA,F.XU,T.MORIKAWA,Y.PONGPIRIYADACHA,S.NAKAMURA,Y.A SAO,A.KUMAHARA,H.MAT |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,308(2007) |
| Literature Reference DOI | 10.1248/cpb.55.308 |
| Molecular Weight | 901.056 g/mol |
| Sample ID | 55445 |
| Solvent | C5D5N |