| SpectraBase Compound ID | I3ejxnZ2CA5 |
|---|---|
| InChI | InChI=1S/C51H82O24/c1-19(18-67-46-41(64)37(60)34(57)28(14-52)70-46)5-8-26-20(2)33-27(69-26)12-25-23-7-6-21-11-22(9-10-50(21,3)24(23)13-32(56)51(25,33)4)68-47-43(66)40(63)44(31(17-55)73-47)74-49-45(39(62)36(59)30(16-54)72-49)75-48-42(65)38(61)35(58)29(15-53)71-48/h19,21-25,27-31,33-49,52-55,57-66H,5-18H2,1-4H3/t19-,21+,22+,23?,24?,25?,27?,28-,29+,30+,31-,33?,34-,35-,36+,37+,38-,39-,40-,41-,42+,43-,44+,45+,46-,47-,48-,49-,50+,51-/m1/s1 |
| InChIKey | TVRRDUXJKROMDX-RKCNRDKJSA-N |
| Mol Weight | 1079.2 g/mol |
| Molecular Formula | C51H82O24 |
| Exact Mass | 1078.519603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8gKPrAJDEE3 |
|---|---|
| Name | TERRESTROSIN-K;26-O-BETA-D-GLUCOPYRANOSYL-(25R)-5-ALPHA-FUROST-20(22)-EN-12-ONE-3-BETA,26-DIOL-3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRAN |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82O24 |
| InChI | InChI=1S/C51H82O24/c1-19(18-67-46-41(64)37(60)34(57)28(14-52)70-46)5-8-26-20(2)33-27(69-26)12-25-23-7-6-21-11-22(9-10-50(21,3)24(23)13-32(56)51(25,33)4)68-47-43(66)40(63)44(31(17-55)73-47)74-49-45(39(62)36(59)30(16-54)72-49)75-48-42(65)38(61)35(58)29(15-53)71-48/h19,21-25,27-31,33-49,52-55,57-66H,5-18H2,1-4H3/t19-,21+,22+,23?,24?,25?,27?,28-,29+,30+,31-,33?,34-,35-,36+,37+,38-,39-,40-,41-,42+,43-,44+,45+,46-,47-,48-,49-,50+,51-/m1/s1 |
| InChIKey | TVRRDUXJKROMDX-RKCNRDKJSA-N |
| Literature Reference Author | Y.WANG,K.OHTANI,R.KASAI,K.YAMASAKI |
| Literature Reference Citation | PHYTOCHEM.,45,811(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00043-5 |
| Molecular Weight | 1079.198 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSP1579 |