| SpectraBase Compound ID | JjgY9TfE3J9 |
|---|---|
| InChI | InChI=1S/C51H80O22/c1-19(18-65-46-39(61)38(60)35(57)30(16-52)70-46)13-28(54)43-20(2)32-29(69-43)15-27-25-8-7-23-14-24(9-11-50(23,5)26(25)10-12-51(27,32)6)68-49-45(73-48-41(63)37(59)34(56)22(4)67-48)42(64)44(31(17-53)71-49)72-47-40(62)36(58)33(55)21(3)66-47/h7,19,21-22,24-27,29-42,44-49,52-53,55-64H,8-18H2,1-6H3/t19-,21-,22-,24-,25+,26-,27-,29-,30+,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+,41+,42-,44+,45+,46+,47-,48-,49+,50-,51-/m0/s1 |
| InChIKey | CJWOMESNEOEUDA-BCUVRMICSA-N |
| Mol Weight | 1045.2 g/mol |
| Molecular Formula | C51H80O22 |
| Exact Mass | 1044.514124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 93dpnmYMK7o |
|---|---|
| Name | #1;23-OXO-PSEUDOPROTODIOSCIN;(25R)-26-O-BETA-D-GLUCOPYRANOSYL-PREGNA-5,20-DIENE-23-OXO-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->4) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H80O22 |
| InChI | InChI=1S/C51H80O22/c1-19(18-65-46-39(61)38(60)35(57)30(16-52)70-46)13-28(54)43-20(2)32-29(69-43)15-27-25-8-7-23-14-24(9-11-50(23,5)26(25)10-12-51(27,32)6)68-49-45(73-48-41(63)37(59)34(56)22(4)67-48)42(64)44(31(17-53)71-49)72-47-40(62)36(58)33(55)21(3)66-47/h7,19,21-22,24-27,29-42,44-49,52-53,55-64H,8-18H2,1-6H3/t19-,21-,22-,24-,25+,26-,27-,29-,30+,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+,41+,42-,44+,45+,46+,47-,48-,49+,50-,51-/m0/s1 |
| InChIKey | CJWOMESNEOEUDA-BCUVRMICSA-N |
| Literature Reference Author | T.LIN,H.L.HUANG,R.H.LIU,J.C.SHU,G.REN,F.SHAO,L.S.LIU |
| Literature Reference Citation | MAGN.RES.CHEM.,50,813(2012) |
| Literature Reference DOI | 10.1002/mrc.3883 |
| Molecular Weight | 1045.183 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU82408 |