| SpectraBase Compound ID | 3QSbnfIoSi9 |
|---|---|
| InChI | InChI=1S/C37H52O4/c1-22-13-18-37-20-19-36(7)30(29(37)23(22)2)25(40-32(37)39)21-27-34(5)16-15-28(41-31(38)24-11-9-8-10-12-24)33(3,4)26(34)14-17-35(27,36)6/h8-12,22-23,25-30H,13-21H2,1-7H3/t22?,23-,25+,26?,27?,28+,29?,30-,34-,35+,36+,37-/m0/s1 |
| InChIKey | XBUHCLCBBZQYKL-DJPFKCJHSA-N |
| Mol Weight | 560.8 g/mol |
| Molecular Formula | C37H52O4 |
| Exact Mass | 560.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AFC3tjNFrul |
|---|---|
| Name | 3-ALPHA-HYDROXY-13-ALPHA-URSAN-28,12-BETA-OLIDE-3-BENZOATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H52O4 |
| InChI | InChI=1S/C37H52O4/c1-22-13-18-37-20-19-36(7)30(29(37)23(22)2)25(40-32(37)39)21-27-34(5)16-15-28(41-31(38)24-11-9-8-10-12-24)33(3,4)26(34)14-17-35(27,36)6/h8-12,22-23,25-30H,13-21H2,1-7H3/t22?,23-,25+,26?,27?,28+,29?,30-,34-,35+,36+,37-/m0/s1 |
| InChIKey | XBUHCLCBBZQYKL-DJPFKCJHSA-N |
| Literature Reference Author | P.L.HUANG,L.W.WANG,C.N.LIN |
| Literature Reference Citation | J.NAT.PROD.,62,891(1999) |
| Literature Reference DOI | 10.1021/np980374u |
| Molecular Weight | 560.817 g/mol |
| Solvent | CDCl3 |
| Source File Reference | WANG326 |