| SpectraBase Compound ID | 1HiHe6vVakD |
|---|---|
| InChI | InChI=1S/C44H70O14/c1-22-31(50)36(58-37-33(52)32(51)35(55-23(2)48)26(19-45)56-37)34(53)38(54-22)57-30-12-13-40(5)27(41(30,6)20-46)11-14-42(7)28(40)10-9-24-25-17-39(3,4)15-16-44(25,21-47)29(49)18-43(24,42)8/h9-10,22,26-38,45-47,49-53H,11-21H2,1-8H3/t22-,26-,27-,28-,29-,30+,31+,32-,33-,34-,35-,36+,37+,38+,40+,41+,42-,43-,44-/m1/s1 |
| InChIKey | XZBPMTCHWLIBMX-YHYAFUOVSA-N |
| Mol Weight | 823.0 g/mol |
| Molecular Formula | C44H70O14 |
| Exact Mass | 822.476557 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 | Au8Fmf3SwUB |
|---|---|
| Name | BFA-25;4''-O-ACETYL-SAIKOSAPONIN-B2 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H70O14 |
| InChI | InChI=1S/C44H70O14/c1-22-31(50)36(58-37-33(52)32(51)35(55-23(2)48)26(19-45)56-37)34(53)38(54-22)57-30-12-13-40(5)27(41(30,6)20-46)11-14-42(7)28(40)10-9-24-25-17-39(3,4)15-16-44(25,21-47)29(49)18-43(24,42)8/h9-10,22,26-38,45-47,49-53H,11-21H2,1-8H3/t22-,26-,27-,28-,29-,30+,31+,32-,33-,34-,35-,36+,37+,38+,40+,41+,42-,43-,44-/m1/s1 |
| InChIKey | XZBPMTCHWLIBMX-YHYAFUOVSA-N |
| Literature Reference Author | Y.NAKAHARA,M.OKAWA,J.KINJO,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,1329(2011) |
| Literature Reference DOI | 10.1248/cpb.59.1329 |
| Molecular Weight | 823.031 g/mol |
| Source File Reference | UWIR3682 |