| SpectraBase Compound ID | 860XVNnmprR |
|---|---|
| InChI | InChI=1S/C45H74O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-42-39(62-41-37(55)35(53)32(50)28(16-47)59-41)38(33(51)29(17-48)60-42)61-40-36(54)34(52)31(49)27(15-46)58-40/h19-42,46-55H,5-18H2,1-4H3/t19-,20-,21+,22-,23?,24?,25?,26?,27+,28-,29+,30?,31+,32-,33-,34-,35+,36+,37-,38-,39+,40-,41+,42+,43-,44-,45+/m0/s1 |
| InChIKey | DKEFDSJGKPNAQN-IGBQGGRXSA-N |
| Mol Weight | 903.1 g/mol |
| Molecular Formula | C45H74O18 |
| Exact Mass | 902.487516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gfvz60gSFdJ |
|---|---|
| Name | 25(S)-SCHIDIGERA-SAPONIN-D4 |
| Compound Number | 10S |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H74O18 |
| InChI | InChI=1S/C45H74O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-42-39(62-41-37(55)35(53)32(50)28(16-47)59-41)38(33(51)29(17-48)60-42)61-40-36(54)34(52)31(49)27(15-46)58-40/h19-42,46-55H,5-18H2,1-4H3/t19-,20-,21+,22-,23?,24?,25?,26?,27+,28-,29+,30?,31+,32-,33-,34-,35+,36+,37-,38-,39+,40-,41+,42+,43-,44-,45+/m0/s1 |
| InChIKey | DKEFDSJGKPNAQN-IGBQGGRXSA-N |
| Literature Reference Author | M.MIYAKOSHI,Y.TAMURA,H.MASUDA,K.MIZUTANI,O.TANAKA,T.IKEDA,K. OHTANI,R.KASAI,K.YAM |
| Literature Reference Citation | J.NAT.PROD.,63,332(2000) |
| Literature Reference DOI | 10.1021/np9904354 |
| Molecular Weight | 903.072 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVP7303 |