| SpectraBase Compound ID | AAUcQqaK9FC |
|---|---|
| InChI | InChI=1S/C32H56O9/c1-16(2)24(41-29-28(38)27(37)23(35)15-40-29)7-6-17(3)21-13-22(34)26-19-12-25(36)32(39)14-18(33)8-11-31(32,5)20(19)9-10-30(21,26)4/h16-29,33-39H,6-15H2,1-5H3/t17-,18+,19?,20?,21-,22+,23-,24+,25-,26?,27+,28-,29+,30-,31-,32+/m1/s1 |
| InChIKey | QUFRHILJEYKJJI-MMDQMSGBSA-N |
| Mol Weight | 584.8 g/mol |
| Molecular Formula | C32H56O9 |
| Exact Mass | 584.392433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LNLqGjdt1PZ |
|---|---|
| Name | RATHBUNIOSIDE-R2;24(S)-24-O-(BETA-D-XYLOPYRANOSYL)-5-ALPHA-CHOLESTANE-3-BETA,5,6-BETA,15-ALPHA,24-PENTAOL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H56O9 |
| InChI | InChI=1S/C32H56O9/c1-16(2)24(41-29-28(38)27(37)23(35)15-40-29)7-6-17(3)21-13-22(34)26-19-12-25(36)32(39)14-18(33)8-11-31(32,5)20(19)9-10-30(21,26)4/h16-29,33-39H,6-15H2,1-5H3/t17-,18+,19?,20?,21-,22+,23-,24+,25-,26?,27+,28-,29+,30-,31-,32+/m1/s1 |
| InChIKey | QUFRHILJEYKJJI-MMDQMSGBSA-N |
| Literature Reference Author | N.V.IVANCHINA,A.A.KICHA,A.I.KALINOVSKY,P.S.DMITRENOK,N.G.PRO KOFEVA,V.A.STONIK |
| Literature Reference Citation | J.NAT.PROD.,64,945(2001) |
| Literature Reference DOI | 10.1021/np000572x |
| Molecular Weight | 584.791 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI1281 |