| SpectraBase Compound ID | CjIPH2LNQu2 |
|---|---|
| InChI | InChI=1S/C29H36O9/c1-7-27(5)14-17(31)21-28(6)18(13-19(32)29(21,36)25(27)35)26(3,4)22(33)20(37-15(2)30)23(28)38-24(34)16-11-9-8-10-12-16/h7-12,18-23,32-33,36H,1,13-14H2,2-6H3/t18-,19+,20-,21+,22+,23-,27-,28-,29-/m0/s1 |
| InChIKey | JUOHHHMQFLSSHX-SKLQCFIISA-N |
| Mol Weight | 528.6 g/mol |
| Molecular Formula | C29H36O9 |
| Exact Mass | 528.235933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A6KM7tPOWAu |
|---|---|
| Name | 3-O-DEACETYL-ORTHOSIPHOL-I |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O9 |
| InChI | InChI=1S/C29H36O9/c1-7-27(5)14-17(31)21-28(6)18(13-19(32)29(21,36)25(27)35)26(3,4)22(33)20(37-15(2)30)23(28)38-24(34)16-11-9-8-10-12-16/h7-12,18-23,32-33,36H,1,13-14H2,2-6H3/t18-,19+,20-,21+,22+,23-,27-,28-,29-/m0/s1 |
| InChIKey | JUOHHHMQFLSSHX-SKLQCFIISA-N |
| Literature Reference Author | S.AWALE,Y.TEZUKA,A.H.BANSKOTA,I.K.ADNYANA,S.KADOTA |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,268(2003) |
| Literature Reference DOI | 10.1248/cpb.51.268 |
| Molecular Weight | 528.599 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS21157 |