| SpectraBase Compound ID | Jgl0rcfchU7 |
|---|---|
| InChI | InChI=1S/C41H66O12/c1-20(2)21-10-15-41(36(49)53-35-33(48)31(46)30(45)24(18-42)51-35)17-16-39(6)22(28(21)41)8-9-26-38(5)13-12-27(37(3,4)25(38)11-14-40(26,39)7)52-34-32(47)29(44)23(43)19-50-34/h21-35,42-48H,1,8-19H2,2-7H3/t21-,22+,23-,24+,25-,26+,27-,28+,29-,30+,31-,32+,33+,34-,35-,38-,39+,40+,41-/m0/s1 |
| InChIKey | GTTLGHQFSHVFQY-SEFGHDMXSA-N |
| Mol Weight | 751.0 g/mol |
| Molecular Formula | C41H66O12 |
| Exact Mass | 750.455428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EoZivadly2f |
|---|---|
| Name | 28-O-BETA-D-GLUCOPYRANOSYLBETULININIC_ACID_3-BETA-O-ALPHA-L-ARABINOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H66O12 |
| InChI | InChI=1S/C41H66O12/c1-20(2)21-10-15-41(36(49)53-35-33(48)31(46)30(45)24(18-42)51-35)17-16-39(6)22(28(21)41)8-9-26-38(5)13-12-27(37(3,4)25(38)11-14-40(26,39)7)52-34-32(47)29(44)23(43)19-50-34/h21-35,42-48H,1,8-19H2,2-7H3/t21-,22+,23-,24+,25-,26+,27-,28+,29-,30+,31-,32+,33+,34-,35-,38-,39+,40+,41-/m0/s1 |
| InChIKey | GTTLGHQFSHVFQY-SEFGHDMXSA-N |
| Literature Reference Author | C.GAUTHIER,J.LEGAULT,S.LAVOIE,S.RONDEAU,S.TREMBLAY,A.PICHETT E |
| Literature Reference Citation | J.NAT.PROD.,72,72(2009) |
| Literature Reference DOI | 10.1021/np800579x |
| Molecular Weight | 750.968 g/mol |
| Sample ID | 32014 |
| Solvent | CDCl3:CD3OD |