![(23S,24S)-SPIROSTA-5,25(27)-DIENE-1-BETA,3-BETA,23,24-TETROL-1-O-[O-(4-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL)-(1->2)-O-[BETA-D-XYLOPARANOSYL-(1->3)]-ALP](/api/spectrum/3F9j4HCO5ci/structure.png?h=300&w=458 "(23S,24S)-SPIROSTA-5,25(27)-DIENE-1-BETA,3-BETA,23,24-TETROL-1-O-[O-(4-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL)-(1->2)-O-[BETA-D-XYLOPARANOSYL-(1->3)]-ALP")
| SpectraBase Compound ID | BGOvtWLEtds |
|---|---|
| InChI | InChI=1S/C45H68O19/c1-17-14-58-45(39(55)31(17)50)18(2)30-28(64-45)13-25-23-8-7-21-11-22(47)12-29(44(21,6)24(23)9-10-43(25,30)5)61-42-38(63-41-35(54)33(52)36(19(3)59-41)60-20(4)46)37(27(49)16-57-42)62-40-34(53)32(51)26(48)15-56-40/h7,18-19,22-42,47-55H,1,8-16H2,2-6H3/t18-,19+,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 | ODFXBBXLHINDAH-YPBQHHGSSA-N |
| Mol Weight | 913.0 g/mol |
| Molecular Formula | C45H68O19 |
| Exact Mass | 912.43548 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3F9j4HCO5ci |
|---|---|
| Name | (23S,24S)-SPIROSTA-5,25(27)-DIENE-1-BETA,3-BETA,23,24-TETROL-1-O-[O-(4-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL)-(1->2)-O-[BETA-D-XYLOPARANOSYL-(1->3)]-ALP |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H68O19 |
| InChI | InChI=1S/C45H68O19/c1-17-14-58-45(39(55)31(17)50)18(2)30-28(64-45)13-25-23-8-7-21-11-22(47)12-29(44(21,6)24(23)9-10-43(25,30)5)61-42-38(63-41-35(54)33(52)36(19(3)59-41)60-20(4)46)37(27(49)16-57-42)62-40-34(53)32(51)26(48)15-56-40/h7,18-19,22-42,47-55H,1,8-16H2,2-6H3/t18-,19+,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 | ODFXBBXLHINDAH-YPBQHHGSSA-N |
| Literature Reference Author | Y.MIMAKI,T.INOUE,M.KURODA,Y.SASHIDA |
| Literature Reference Citation | PHYTOCHEM.,43,1325(1996) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00397-4 |
| Molecular Weight | 913.024 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS2422 |