| SpectraBase Compound ID | HT8SHWHydTb |
|---|---|
| InChI | InChI=1S/C36H60N2O7/c1-18(2)13-30(41)45-28-16-35(7)25(14-27(40)31(35)20(5)37(9)10)22-11-12-24-33(42)26(38-17-23(19(3)4)34(38)43)15-29(44-21(6)39)36(24,8)32(22)28/h18-20,22-29,31-33,40,42H,11-17H2,1-10H3/t20-,22-,23+,24-,25-,26-,27-,28+,29+,31-,32+,33+,35-,36+/m0/s1 |
| InChIKey | SUPKERYLYKAVRS-KIYBVETFSA-N |
| Mol Weight | 632.9 g/mol |
| Molecular Formula | C36H60N2O7 |
| Exact Mass | 632.440052 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JxI0y4BVDkY |
|---|---|
| Name | TERMINAMINE_C;20-ALPHA-DIMETHYLAMINO-3-BETA-(3'-ALPHA-ISOPROPYL)-LACTAM-1-BETA-ACETOXY-11-ALPHA-ISOVALERYL-5-ALPHA-PREGN-4-BETA,16-BETA-DIOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H60N2O7 |
| InChI | InChI=1S/C36H60N2O7/c1-18(2)13-30(41)45-28-16-35(7)25(14-27(40)31(35)20(5)37(9)10)22-11-12-24-33(42)26(38-17-23(19(3)4)34(38)43)15-29(44-21(6)39)36(24,8)32(22)28/h18-20,22-29,31-33,40,42H,11-17H2,1-10H3/t20-,22-,23+,24-,25-,26-,27-,28+,29+,31-,32+,33+,35-,36+/m0/s1 |
| InChIKey | SUPKERYLYKAVRS-KIYBVETFSA-N |
| Literature Reference Author | H.Y.ZHAI,C.ZHAO,N.ZHANG,M.N.JIN,S.A.TANG,N.QIN,D.X.KONG,H.Q. DUAN |
| Literature Reference Citation | J.NAT.PROD.,75,1305(2012) |
| Literature Reference DOI | 10.1021/np300207c |
| Molecular Weight | 632.882 g/mol |
| Sample ID | 41257 |
| Solvent | CDCl3 |