| SpectraBase Compound ID | GQihTArdg0L |
|---|---|
| InChI | InChI=1S/C35H52N2O4/c1-21(37(7)8)26-15-17-35(6)27-20-29(41-22(2)38)30-25(18-24(27)14-16-34(26,35)5)19-28(39)31(33(30,3)4)36-32(40)23-12-10-9-11-13-23/h9-13,19,21,24,26-31,39H,14-18,20H2,1-8H3,(H,36,40)/t21-,24+,26+,27+,28+,29-,30-,31-,34+,35-/m0/s1 |
| InChIKey | DMWFVSJPHMUFEL-NYTMBKBPSA-N |
| Mol Weight | 564.8 g/mol |
| Molecular Formula | C35H52N2O4 |
| Exact Mass | 564.392708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Px0f1a8Y7a |
|---|---|
| Name | (+)-SEMPERVIRAMINOL;(20S)-2-ALPHA-HYDROXY-6-ALPHA-ACETOXY-3-BETA-BENZOYLAMINO-20-DIMETHYLAMINO-9,10-SECO-BUXA-1(10)-ENE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H52N2O4 |
| InChI | InChI=1S/C35H52N2O4/c1-21(37(7)8)26-15-17-35(6)27-20-29(41-22(2)38)30-25(18-24(27)14-16-34(26,35)5)19-28(39)31(33(30,3)4)36-32(40)23-12-10-9-11-13-23/h9-13,19,21,24,26-31,39H,14-18,20H2,1-8H3,(H,36,40)/t21-,24+,26+,27+,28+,29-,30-,31-,34+,35-/m0/s1 |
| InChIKey | DMWFVSJPHMUFEL-NYTMBKBPSA-N |
| Literature Reference Author | A.U.RAHMAN,A.ATA,S.NAZ,M.I.CHOUDHARY,B.SENER,S.TURKOZ |
| Literature Reference Citation | J.NAT.PROD.,62,665(1999) |
| Literature Reference DOI | 10.1021/np980285h |
| Molecular Weight | 564.809 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP7701 |