| SpectraBase Compound ID | 4SRnqp7jGrV |
|---|---|
| InChI | InChI=1S/C59H96O25/c1-24-34(62)38(66)42(70)49(77-24)82-46-29(21-60)79-48(45(73)41(46)69)76-23-30-37(65)40(68)44(72)51(80-30)84-53(74)59-18-16-54(3,4)20-27(59)26-10-11-32-56(7)14-13-33(55(5,6)31(56)12-15-58(32,9)57(26,8)17-19-59)81-52-47(36(64)28(61)22-75-52)83-50-43(71)39(67)35(63)25(2)78-50/h10,24-25,27-52,60-73H,11-23H2,1-9H3/t24-,25+,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37-,38+,39-,40+,41-,42+,43-,44-,45-,46-,47-,48-,49-,50+,51+,52+,56?,57?,58?,59+/m1/s1 |
| InChIKey | NVSLBOBPSCMMSO-OPTBAUMUSA-N |
| Mol Weight | 1205.4 g/mol |
| Molecular Formula | C59H96O25 |
| Exact Mass | 1204.624069 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KVON1MCA4Ss |
|---|---|
| Name | HEDERASAPONIN-B;SAPONIN-PJ3 |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H96O25 |
| InChI | InChI=1S/C59H96O25/c1-24-34(62)38(66)42(70)49(77-24)82-46-29(21-60)79-48(45(73)41(46)69)76-23-30-37(65)40(68)44(72)51(80-30)84-53(74)59-18-16-54(3,4)20-27(59)26-10-11-32-56(7)14-13-33(55(5,6)31(56)12-15-58(32,9)57(26,8)17-19-59)81-52-47(36(64)28(61)22-75-52)83-50-43(71)39(67)35(63)25(2)78-50/h10,24-25,27-52,60-73H,11-23H2,1-9H3/t24-,25+,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37-,38+,39-,40+,41-,42+,43-,44-,45-,46-,47-,48-,49-,50+,51+,52+,56?,57?,58?,59+/m1/s1 |
| InChIKey | NVSLBOBPSCMMSO-OPTBAUMUSA-N |
| Literature Reference Author | J.KONG,X.C.LI,B.Y.WEI,C.R.YANG |
| Literature Reference Citation | PHYTOCHEM.,33,427(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85533-W |
| Molecular Weight | 1205.396 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6405 |