| SpectraBase Compound ID | 2gvUUqYoZKx |
|---|---|
| InChI | InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-24,26-30,37-42H,9-17H2,1-7H3/t18-,21-,22-,23+,24-,26-,27+,28-,29-,30+,33+,34-,35-,36+/m1/s1 |
| InChIKey | OFWIRPXDLBDEFC-IGPDRLGKSA-N |
| Mol Weight | 632.8 g/mol |
| Molecular Formula | C36H56O9 |
| Exact Mass | 632.392433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AXmmTvcKI8J |
|---|---|
| Name | RUBUSIDE_B;2-ALPHA,3-ALPHA-DIHYDROXY-URS-12,18-DIEN-28_OIC_ACID_28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O9 |
| InChI | InChI=1S/C36H56O9/c1-18-10-13-36(31(43)45-30-28(41)27(40)26(39)22(17-37)44-30)15-14-34(6)20(25(36)19(18)2)8-9-24-33(5)16-21(38)29(42)32(3,4)23(33)11-12-35(24,34)7/h8,18,21-24,26-30,37-42H,9-17H2,1-7H3/t18-,21-,22-,23+,24-,26-,27+,28-,29-,30+,33+,34-,35-,36+/m1/s1 |
| InChIKey | OFWIRPXDLBDEFC-IGPDRLGKSA-N |
| Literature Reference Author | W.LI,H.FU,H.BAI,T.SASAKI,H.KATO,K.KOIKE |
| Literature Reference Citation | J.NAT.PROD.,72,1755(2009) |
| Literature Reference DOI | 10.1021/np900237a |
| Molecular Weight | 632.835 g/mol |
| Sample ID | 33615 |
| Solvent | C5D5N |