| SpectraBase Compound ID | AeGwANuGc9r |
|---|---|
| InChI | InChI=1S/C33H53NO7/c1-19-9-14-33(27(40)34-21(17-35)26(38)39)16-15-30(4)20(25(33)32(19,6)41)7-8-23-28(2)12-11-24(37)29(3,18-36)22(28)10-13-31(23,30)5/h7,19,21-25,35-37,41H,8-18H2,1-6H3,(H,34,40)(H,38,39)/t19-,21?,22-,23-,24+,25-,28+,29+,30-,31-,32-,33+/m1/s1 |
| InChIKey | JNRLVUFEXYDXGZ-TVIPLSTASA-N |
| Mol Weight | 575.8 g/mol |
| Molecular Formula | C33H53NO7 |
| Exact Mass | 575.382203 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JLDmF8C8M1H |
|---|---|
| Name | N-(3-BETA,19-ALPHA,23-TRIHYDROXY-URS-12-EN-28-OYL)-2-AMINO-3-HYDROXY-PROPIONIC-ACID |
| Compound Number | 5B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H53NO7 |
| InChI | InChI=1S/C33H53NO7/c1-19-9-14-33(27(40)34-21(17-35)26(38)39)16-15-30(4)20(25(33)32(19,6)41)7-8-23-28(2)12-11-24(37)29(3,18-36)22(28)10-13-31(23,30)5/h7,19,21-25,35-37,41H,8-18H2,1-6H3,(H,34,40)(H,38,39)/t19-,21?,22-,23-,24+,25-,28+,29+,30-,31-,32-,33+/m1/s1 |
| InChIKey | JNRLVUFEXYDXGZ-TVIPLSTASA-N |
| Literature Reference Author | Y.F.HE,M.L.NAN,J.M.SUN,Z.J.MENG,F.G.YUE,Q.C.ZHAO,X.H.YANG,H. WANG |
| Literature Reference Citation | MOLECULES,17,1278(2012) |
| Literature Reference DOI | 10.3390/molecules17021278 |
| Molecular Weight | 575.786 g/mol |
| Sample ID | 73103 |
| Solvent | C5D5N |