| SpectraBase Compound ID | L8g4XMKjBIw |
|---|---|
| InChI | InChI=1S/C45H74O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-40-37(55)35(53)38(29(17-48)60-40)61-42-39(34(52)32(50)28(16-47)59-42)62-41-36(54)33(51)31(49)27(15-46)58-41/h19-42,46-55H,5-18H2,1-4H3/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 | JNTJNUDLVQQYGM-NIDLVHGJSA-N |
| Mol Weight | 903.1 g/mol |
| Molecular Formula | C45H74O18 |
| Exact Mass | 902.487516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4N9foHGxtHM |
|---|---|
| Name | (25-R)-5-BETA-SPIROSTAN-3-BETA-YL_O-BETA-GLUCOPYRANOSYL-(1->2)-O-BETA-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H74O18 |
| InChI | InChI=1S/C45H74O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-40-37(55)35(53)38(29(17-48)60-40)61-42-39(34(52)32(50)28(16-47)59-42)62-41-36(54)33(51)31(49)27(15-46)58-41/h19-42,46-55H,5-18H2,1-4H3/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 | JNTJNUDLVQQYGM-NIDLVHGJSA-N |
| Literature Reference Author | A.YOKOSUKA,M.JITSUNO,S.YUI,M.YAMAZAKI,Y.MIMAKI |
| Literature Reference Citation | J.NAT.PROD.,72,1399(2009) |
| Literature Reference DOI | 10.1021/np900168d |
| Molecular Weight | 903.072 g/mol |
| Sample ID | 33302 |
| Solvent | C5D5N |