| SpectraBase Compound ID | Jik0U2g9pd0 |
|---|---|
| InChI | InChI=1S/C42H68O13/c1-20-11-16-42(36(50)55-35-32(30(48)28(46)23(19-43)53-35)54-34-31(49)29(47)27(45)21(2)52-34)18-17-39(6)22(33(42)41(20,8)51)9-10-25-38(5)14-13-26(44)37(3,4)24(38)12-15-40(25,39)7/h9,20-21,23-35,43-49,51H,10-19H2,1-8H3/t20-,21+,23-,24+,25-,26+,27+,28-,29-,30+,31-,32-,33-,34+,35+,38+,39-,40-,41-,42+/m1/s1 |
| InChIKey | RDUHBOSXZLJDGU-NFQVBRSDSA-N |
| Mol Weight | 781.0 g/mol |
| Molecular Formula | C42H68O13 |
| Exact Mass | 780.465992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4JZMGndcsPb |
|---|---|
| Name | SAPONIN-T1;POMOLIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O13 |
| InChI | InChI=1S/C42H68O13/c1-20-11-16-42(36(50)55-35-32(30(48)28(46)23(19-43)53-35)54-34-31(49)29(47)27(45)21(2)52-34)18-17-39(6)22(33(42)41(20,8)51)9-10-25-38(5)14-13-26(44)37(3,4)24(38)12-15-40(25,39)7/h9,20-21,23-35,43-49,51H,10-19H2,1-8H3/t20-,21+,23-,24+,25-,26+,27+,28-,29-,30+,31-,32-,33-,34+,35+,38+,39-,40-,41-,42+/m1/s1 |
| InChIKey | RDUHBOSXZLJDGU-NFQVBRSDSA-N |
| Literature Reference Author | A.T.C.TAKETA,E.P.SCHENKEL |
| Literature Reference Citation | ACTA.FARM.BONA.,13,159(1994) |
| Molecular Weight | 780.994 g/mol |
| Source File Reference | UWBT7240 |