| SpectraBase Compound ID | LBN5hv0ub40 |
|---|---|
| InChI | InChI=1S/C40H62O19/c1-14-25-21(53-35(14)52)9-18-16-5-4-15-8-20(19(44)10-40(15,3)17(16)6-7-39(18,25)2)54-36-32(51)30(49)33(24(13-43)57-36)58-38-34(29(48)27(46)23(12-42)56-38)59-37-31(50)28(47)26(45)22(11-41)55-37/h15-34,36-38,41-51H,1,4-13H2,2-3H3/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24-,25-,26+,27+,28-,29-,30-,31+,32-,33+,34+,36-,37-,38-,39-,40-/m0/s1 |
| InChIKey | MAYTXIIGXZPMFA-WRFQIFTESA-N |
| Mol Weight | 846.9 g/mol |
| Molecular Formula | C40H62O19 |
| Exact Mass | 846.38853 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KYDskzPWUnX |
|---|---|
| Name | 2-ALPHA,3-BETA,16-BETA-TRIHYDROXY-5-ALPHA-PREGN-20(21)-ENE-CARBOXYLIC-ACID-GAMMA-LACTONE-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSY |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H62O19 |
| InChI | InChI=1S/C40H62O19/c1-14-25-21(53-35(14)52)9-18-16-5-4-15-8-20(19(44)10-40(15,3)17(16)6-7-39(18,25)2)54-36-32(51)30(49)33(24(13-43)57-36)58-38-34(29(48)27(46)23(12-42)56-38)59-37-31(50)28(47)26(45)22(11-41)55-37/h15-34,36-38,41-51H,1,4-13H2,2-3H3/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24-,25-,26+,27+,28-,29-,30-,31+,32-,33+,34+,36-,37-,38-,39-,40-/m0/s1 |
| InChIKey | MAYTXIIGXZPMFA-WRFQIFTESA-N |
| Literature Reference Author | Y.MIMAKI,A.KAMEYAMA,M.KURODA,Y.SASHIDA,T.HIRANO,K.OKA,K.KOIK E,T.NIKAIDO |
| Literature Reference Citation | PHYTOCHEM.,44,305(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00548-1 |
| Molecular Weight | 846.921 g/mol |
| Solvent | C5D5N:CD3OD=11:1 |
| Source File Reference | UWPA80 |