| SpectraBase Compound ID | F7nHW68Y70s |
|---|---|
| InChI | InChI=1S/C30H50O12S3.3Na/c1-17(2)20(18(3)4)9-8-19(5)22-10-11-23-21-14-26(40-43(31,32)33)25-15-27(41-44(34,35)36)28(42-45(37,38)39)16-30(25,7)24(21)12-13-29(22,23)6;;;/h8-9,18-28H,1,10-16H2,2-7H3,(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3/b9-8-;;;/t19?,20?,21?,22-,23?,24?,25?,26?,27?,28+,29-,30-;;;/m1.../s1 |
| InChIKey | LAPNETGQPFUCNX-GAORJUMFSA-K |
| Mol Weight | 764.84330785 g/mol |
| Molecular Formula | C30H47Na3O12S3 |
| Exact Mass | 764.192273 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GggzhXEHYmq |
|---|---|
| Name | POLASTEROL-B-SULFATE;24-EPSILON-ISOPROPENYLCHOLESTA-22(Z),28(29)-DIENE-2-BETA,3-ALPHA,6-ALPHA-TRIYL-SODIUM-SULFATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H47Na3O12S3 |
| InChI | InChI=1S/C30H50O12S3.3Na/c1-17(2)20(18(3)4)9-8-19(5)22-10-11-23-21-14-26(40-43(31,32)33)25-15-27(41-44(34,35)36)28(42-45(37,38)39)16-30(25,7)24(21)12-13-29(22,23)6;;;/h8-9,18-28H,1,10-16H2,2-7H3,(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3/b9-8-;;;/t19?,20?,21?,22-,23?,24?,25?,26?,27?,28+,29-,30-;;;/m1.../s1 |
| InChIKey | LAPNETGQPFUCNX-GAORJUMFSA-K |
| Literature Reference Author | A.UMEYAMA,K.ADACHI,S.ITO,S.ARIHARA |
| Literature Reference Citation | J.NAT.PROD.,63,1175(2000) |
| Literature Reference DOI | 10.1021/np000024j |
| Molecular Weight | 764.845 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU2119 |