| SpectraBase Compound ID | IZG1jPLWusd |
|---|---|
| InChI | InChI=1S/2C36H60O10/c2*1-20(18-43-22(3)37)8-7-9-21(2)26-10-11-27-25-16-30(39)36(42)17-24(12-15-35(36,6)28(25)13-14-34(26,27)5)46-33-32(41)31(40)29(19-44-33)45-23(4)38/h2*20-21,24-33,39-42H,7-19H2,1-6H3/t20-,21+,24-,25?,26+,27?,28?,29+,30+,31+,32-,33-,34+,35+,36-;20-,21-,24+,25?,26-,27?,28?,29-,30-,31-,32+,33+,34-,35-,36+/m01/s1 |
| InChIKey | HUJJDDQIBXUBQT-WVEIPDIWSA-N |
| Mol Weight | 1305.7 g/mol |
| Molecular Formula | C72H120O20 |
| Exact Mass | 1304.837296 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Dc8xVOmjj4 |
|---|---|
| Name | RIISEIN-B;3-BETA-O-(4'-O-ACETYL-BETA-D-ARABINOPYRANOSYL)-25-ZETA-CHOLESTANE-3-BETA,5-ALPHA,6-BETA,26-TETROL-26-ACETATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H120O20 |
| InChI | InChI=1S/2C36H60O10/c2*1-20(18-43-22(3)37)8-7-9-21(2)26-10-11-27-25-16-30(39)36(42)17-24(12-15-35(36,6)28(25)13-14-34(26,27)5)46-33-32(41)31(40)29(19-44-33)45-23(4)38/h2*20-21,24-33,39-42H,7-19H2,1-6H3/t20-,21+,24-,25?,26+,27?,28?,29+,30+,31+,32-,33-,34+,35+,36-;20-,21-,24+,25?,26-,27?,28?,29-,30-,31-,32+,33+,34-,35-,36+/m01/s1 |
| InChIKey | HUJJDDQIBXUBQT-WVEIPDIWSA-N |
| Literature Reference Author | L.F.MAIA,R.D.A.EPIFANIO,W.FENICAL |
| Literature Reference Citation | J.NAT.PROD.,63,1427(2000) |
| Literature Reference DOI | 10.1021/np9906323 |
| Molecular Weight | 1305.733 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU2240 |