| SpectraBase Compound ID | 4TN0bQ04JqW |
|---|---|
| InChI | InChI=1S/C30H46O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-20-25(2)11-10-21(33)26(3,16-31)23(25)19(32)15-28(20,27)5/h7,16-17,19-23,32-33,36H,8-15H2,1-6H3,(H,34,35)/t17-,19-,20?,21+,22?,23?,25-,26-,27-,28-,29-,30+/m1/s1 |
| InChIKey | NBJMEEGTJUXGLI-USYOORENSA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C30H46O6 |
| Exact Mass | 502.329439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F3rl9CpFgtv |
|---|---|
| Name | 3-BETA,6-BETA,19-ALPHA-TRIHYDROXY-23-OXO-URS-12-EN-28-OIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O6 |
| InChI | InChI=1S/C30H46O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-20-25(2)11-10-21(33)26(3,16-31)23(25)19(32)15-28(20,27)5/h7,16-17,19-23,32-33,36H,8-15H2,1-6H3,(H,34,35)/t17-,19-,20?,21+,22?,23?,25-,26-,27-,28-,29-,30+/m1/s1 |
| InChIKey | NBJMEEGTJUXGLI-USYOORENSA-N |
| Literature Reference Author | R.AQUINO,F.DESIMONE,F.F.VINCIERI,C.PIZZA,E.GACS-BAITZ |
| Literature Reference Citation | J.NAT.PROD.,53,559(1990) |
| Literature Reference DOI | 10.1021/np50069a004 |
| Molecular Weight | 502.692 g/mol |
| Solvent | CD3OD:CDCl3 |
| Source File Reference | UWRU313 |