![#3;TRIGONEOSIDE-IIIB;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,22-XI,26-TRIHYDROXY-(25R)-5-ALPHA-FUROSTANE-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/JyRGGRZZQx/structure.png?h=300&w=458 "#3;TRIGONEOSIDE-IIIB;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,22-XI,26-TRIHYDROXY-(25R)-5-ALPHA-FUROSTANE-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | GDdpwo8sWxu |
|---|---|
| InChI | InChI=1S/C45H76O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h19-42,46-56H,6-18H2,1-5H3/t19-,20+,21+,22+,23+,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 | FQMSOJMRNXFKPU-WALFNYLZSA-N |
| Mol Weight | 905.1 g/mol |
| Molecular Formula | C45H76O18 |
| Exact Mass | 904.503166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JyRGGRZZQx |
|---|---|
| Name | #3;TRIGONEOSIDE-IIIB;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,22-XI,26-TRIHYDROXY-(25R)-5-ALPHA-FUROSTANE-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H76O18 |
| InChI | InChI=1S/C45H76O18/c1-19(18-57-40-37(54)35(52)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-39(36(53)33(50)29(17-47)61-42)62-41-38(55)34(51)31(48)21(3)58-41/h19-42,46-56H,6-18H2,1-5H3/t19-,20+,21+,22+,23+,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 | FQMSOJMRNXFKPU-WALFNYLZSA-N |
| Literature Reference Author | P.K.AGRAWAL |
| Literature Reference Citation | STEROIDS,70,715(2005) |
| Literature Reference DOI | 10.1016/j.steroids.2005.04.001 |
| Molecular Weight | 905.088 g/mol |
| Sample ID | 968748 |
| Solvent | C5D5N |