| SpectraBase Compound ID | IcmsMHNzKlw |
|---|---|
| InChI | InChI=1S/C43H61NO13/c1-9-22(3)37(47)56-36-34(46)33-25(20-44-19-21(2)10-13-31(44)40(33,6)49)26-18-41-35(42(26,36)50)29(54-23(4)45)17-30-39(41,5)15-14-32(43(30,51)57-41)55-38(48)24-11-12-27(52-7)28(16-24)53-8/h11-12,16,21-22,25-26,29-36,46,49-51H,9-10,13-15,17-20H2,1-8H3/t21-,22?,25-,26-,29+,30-,31-,32-,33+,34+,35+,36-,39-,40+,41+,42-,43-/m0/s1 |
| InChIKey | MHQPNCBMPCWYOY-BXFKSJAZSA-N |
| Mol Weight | 800.0 g/mol |
| Molecular Formula | C43H61NO13 |
| Exact Mass | 799.414291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4BqwVo1KUo |
|---|---|
| Name | VERUSSIRINE;7-O-ACETYL-15-O-(2-METHYLBUTYROYL)-3-O-VERATROYLGERMINE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H61NO13 |
| InChI | InChI=1S/C43H61NO13/c1-9-22(3)37(47)56-36-34(46)33-25(20-44-19-21(2)10-13-31(44)40(33,6)49)26-18-41-35(42(26,36)50)29(54-23(4)45)17-30-39(41,5)15-14-32(43(30,51)57-41)55-38(48)24-11-12-27(52-7)28(16-24)53-8/h11-12,16,21-22,25-26,29-36,46,49-51H,9-10,13-15,17-20H2,1-8H3/t21-,22?,25-,26-,29+,30-,31-,32-,33+,34+,35+,36-,39-,40+,41+,42-,43-/m0/s1 |
| InChIKey | MHQPNCBMPCWYOY-BXFKSJAZSA-N |
| Literature Reference Author | Y.TEZUKA,T.KIKUCHI,W.ZHAO,J.CHEN,Y.GUO |
| Literature Reference Citation | J.NAT.PROD.,61,1397(1998) |
| Literature Reference DOI | 10.1021/np9800811 |
| Molecular Weight | 799.956 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS19617 |