![3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL]-25-(S)-SPIROST-5-EN-3-BETA-OL](/api/spectrum/BCCEaWX9Fmm/structure.png?h=300&w=458 "3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL]-25-(S)-SPIROST-5-EN-3-BETA-OL")
| SpectraBase Compound ID | 11pIuz7mmkk |
|---|---|
| InChI | InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26?,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1 |
| InChIKey | VNONINPVFQTJOC-CLMXHRIYSA-N |
| Mol Weight | 869.1 g/mol |
| Molecular Formula | C45H72O16 |
| Exact Mass | 868.482036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BCCEaWX9Fmm |
|---|---|
| Name | 3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL]-25-(S)-SPIROST-5-EN-3-BETA-OL |
| Compound Number | 4B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O16 |
| InChI | InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26?,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1 |
| InChIKey | VNONINPVFQTJOC-CLMXHRIYSA-N |
| Literature Reference Author | V.S.PIRES,A.T.C.TAKETA,G.GOSMANN,E.P.SCHENKEL |
| Literature Reference Citation | J.BRAZ.CHEM.SOC.,13,135(2002) |
| Literature Reference DOI | 10.1590/s0103-50532002000200002 |
| Molecular Weight | 869.057 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU6040 |