| SpectraBase Compound ID | 4Qb5WAZj21d |
|---|---|
| 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+/m0/s1 |
| InChIKey | JNTJNUDLVQQYGM-IWTGVAKJSA-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 | 4tAVFnmoFPD |
|---|---|
| Name | TERRESTROSIN-A;(25R)-5-ALPHA-SPIROSTAN-3-BETA-OL-3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 6 |
| 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+/m0/s1 |
| InChIKey | JNTJNUDLVQQYGM-IWTGVAKJSA-N |
| Literature Reference Author | W.YAN,K.OHTANI,R.KASAI,K.YAMASAKI |
| Literature Reference Citation | PHYTOCHEM.,42,1417(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00131-8 |
| Molecular Weight | 903.072 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN3119 |