| SpectraBase Compound ID | 3ZTZYTWYBx3 |
|---|---|
| InChI | InChI=1S/C54H86O18/c1-14-26(2)50(58)69-40-22-36-35(54(59)20-18-34(27(3)55)53(40,54)9)16-15-32-21-33(17-19-52(32,36)8)68-41-24-38(61-11)46(29(5)65-41)70-43-25-39(62-12)47(30(6)66-43)72-51-45(57)49(63-13)48(31(7)67-51)71-42-23-37(60-10)44(56)28(4)64-42/h14-15,28-31,33-49,51,56-57,59H,16-25H2,1-13H3/b26-14+/t28-,29+,30-,31+,33-,34+,35+,36-,37-,38-,39+,40+,41-,42+,43+,44-,45+,46+,47-,48+,49+,51-,52-,53-,54-/m0/s1 |
| InChIKey | RMTXVGWFXARMSZ-XMQSQURISA-N |
| Mol Weight | 1023.3 g/mol |
| Molecular Formula | C54H86O18 |
| Exact Mass | 1022.581416 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4fMBpBSyFyk |
|---|---|
| Name | #1;HOODIGOSIDE-W;12-O-BETA-TIGLOYL-14-BETA-HYDROXY-PREGN-5-EN-20-ONE-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86O18 |
| InChI | InChI=1S/C54H86O18/c1-14-26(2)50(58)69-40-22-36-35(54(59)20-18-34(27(3)55)53(40,54)9)16-15-32-21-33(17-19-52(32,36)8)68-41-24-38(61-11)46(29(5)65-41)70-43-25-39(62-12)47(30(6)66-43)72-51-45(57)49(63-13)48(31(7)67-51)71-42-23-37(60-10)44(56)28(4)64-42/h14-15,28-31,33-49,51,56-57,59H,16-25H2,1-13H3/b26-14+/t28-,29+,30-,31+,33-,34+,35+,36-,37-,38-,39+,40+,41-,42+,43+,44-,45+,46+,47-,48+,49+,51-,52-,53-,54-/m0/s1 |
| InChIKey | RMTXVGWFXARMSZ-XMQSQURISA-N |
| Literature Reference Author | Y.J.SHUKLA,R.S.PAWAR,Y.DING,X.C.LI,D.FERREIRA,I.A.KHAN |
| Literature Reference Citation | PHYTOCHEM.,70,675(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.02.006 |
| Molecular Weight | 1023.266 g/mol |
| Sample ID | 64647 |
| Solvent | C5D5N |