| SpectraBase Compound ID | 6KqyI0OZ3Hb |
|---|---|
| InChI | InChI=1S/C32H46N2O3/c1-20(34(5)6)24-14-15-25-23-12-13-27-29(37-21(2)35)28(33-30(36)22-10-8-7-9-11-22)17-19-32(27,4)26(23)16-18-31(24,25)3/h7-11,17,20,23-27,29H,12-16,18-19H2,1-6H3,(H,33,36)/t20-,23-,24+,25-,26-,27-,29+,31+,32+/m0/s1 |
| InChIKey | LANJPWZPYVPLQZ-SKMXPDMESA-N |
| Mol Weight | 506.7 g/mol |
| Molecular Formula | C32H46N2O3 |
| Exact Mass | 506.350843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2t2WKWXr0PB |
|---|---|
| Name | (+)-(20S)-3-(BENZOYLAMINO)-20-(DIMETHYLAMINO)-5-ALPHA-PREGN-2-EN-4-BETA-YL_ACETATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H46N2O3 |
| InChI | InChI=1S/C32H46N2O3/c1-20(34(5)6)24-14-15-25-23-12-13-27-29(37-21(2)35)28(33-30(36)22-10-8-7-9-11-22)17-19-32(27,4)26(23)16-18-31(24,25)3/h7-11,17,20,23-27,29H,12-16,18-19H2,1-6H3,(H,33,36)/t20-,23-,24+,25-,26-,27-,29+,31+,32+/m0/s1 |
| InChIKey | LANJPWZPYVPLQZ-SKMXPDMESA-N |
| Literature Reference Author | L.C.CHANG,K.P.L.BHAT,E.PISHA,E.J.KENNELLY,H.H.S.FONG,J.M.PEZ ZUTO,A.D.KINGHORN |
| Literature Reference Citation | J.NAT.PROD.,61,1257(1998) |
| Literature Reference DOI | 10.1021/np980162x |
| Molecular Weight | 506.729 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ975 |