| SpectraBase Compound ID | 1WyYILlgSo2 |
|---|---|
| InChI | InChI=1S/C39H56O5/c1-24-14-19-39(23-40)21-20-37(6)27(34(39)25(24)2)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-26-8-11-28(41)29(42)22-26/h8-11,13,22,24-25,30-32,34,40-42H,12,14-21,23H2,1-7H3/b13-9+/t24-,25+,30?,31?,32+,34?,36+,37-,38-,39-/m1/s1 |
| InChIKey | VAVKRHSGFFQRKW-VTXBDACFSA-N |
| Mol Weight | 604.9 g/mol |
| Molecular Formula | C39H56O5 |
| Exact Mass | 604.412775 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FrHDCOkpV9F |
|---|---|
| Name | UVAOL-3-BETA-YL-CAFFEATE;28-HYDROXY-12-URSENE-3-BETA-YL-CAFFEATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H56O5 |
| InChI | InChI=1S/C39H56O5/c1-24-14-19-39(23-40)21-20-37(6)27(34(39)25(24)2)10-12-31-36(5)17-16-32(35(3,4)30(36)15-18-38(31,37)7)44-33(43)13-9-26-8-11-28(41)29(42)22-26/h8-11,13,22,24-25,30-32,34,40-42H,12,14-21,23H2,1-7H3/b13-9+/t24-,25+,30?,31?,32+,34?,36+,37-,38-,39-/m1/s1 |
| InChIKey | VAVKRHSGFFQRKW-VTXBDACFSA-N |
| Literature Reference Author | H.NAKAGAWA,Y.TAKAISHI,Y.FUJIMOTO,C.DUQUE,C.GARZON,M.SATO,M.O KAMOTO,T.OSHIKAWA,S. |
| Literature Reference Citation | J.NAT.PROD.,67,1919(2004) |
| Literature Reference DOI | 10.1021/np040006s |
| Molecular Weight | 604.871 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ6778 |