| SpectraBase Compound ID | BGeB1HlSJm4 |
|---|---|
| InChI | InChI=1S/C42H68O11/c1-20(2)23-12-17-42(37(49)53-36-34(48)32(46)30(44)22(4)51-36)19-18-40(8)24(28(23)42)10-11-26-39(7)15-14-27(38(5,6)25(39)13-16-41(26,40)9)52-35-33(47)31(45)29(43)21(3)50-35/h21-36,43-48H,1,10-19H2,2-9H3/t21-,22-,23-,24+,25-,26+,27-,28+,29-,30-,31+,32+,33+,34+,35-,36-,39-,40+,41+,42-/m0/s1 |
| InChIKey | SSPIYZIPEZMJMM-XPNFMVRMSA-N |
| Mol Weight | 749.0 g/mol |
| Molecular Formula | C42H68O11 |
| Exact Mass | 748.476163 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1BQW5nm2Ddn |
|---|---|
| Name | 28-O-BETA-D-GLUCOPYRANOSYLBETULINIC_ACID_3-BETA-O-ALPHA-L-RHAMNOPYRANOSIDE |
| Compound Number | 22B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O11 |
| InChI | InChI=1S/C42H68O11/c1-20(2)23-12-17-42(37(49)53-36-34(48)32(46)30(44)22(4)51-36)19-18-40(8)24(28(23)42)10-11-26-39(7)15-14-27(38(5,6)25(39)13-16-41(26,40)9)52-35-33(47)31(45)29(43)21(3)50-35/h21-36,43-48H,1,10-19H2,2-9H3/t21-,22-,23-,24+,25-,26+,27-,28+,29-,30-,31+,32+,33+,34+,35-,36-,39-,40+,41+,42-/m0/s1 |
| InChIKey | SSPIYZIPEZMJMM-XPNFMVRMSA-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 | 748.995 g/mol |
| Sample ID | 32019 |
| Solvent | CD3OD |