| SpectraBase Compound ID | IsdaxUVj2C1 |
|---|---|
| InChI | InChI=1S/C41H60N2O5/c1-23(2)24(3)13-14-29(37(46)47-22-32-27(6)42-25(4)26(5)43-32)36-33(45)21-41(12)31-15-16-34-38(8,9)35(48-28(7)44)18-19-39(34,10)30(31)17-20-40(36,41)11/h15,17,23,29,33-36,45H,3,13-14,16,18-22H2,1-2,4-12H3/t29-,33+,34-,35-,36-,39+,40+,41-/m0/s1 |
| InChIKey | MEUWHEBGCBFEHO-IOSLCQJPSA-N |
| Mol Weight | 660.9 g/mol |
| Molecular Formula | C41H60N2O5 |
| Exact Mass | 660.450223 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cv46eZvC3r0 |
|---|---|
| Name | 3-BETA-ACETOXY-16-ALPHA-HYDROXY-LANOSTA-7,9(11),24(31)-TRIEN-21-OIC-ACID-3,5,6-TRIMETHYL-PYRAZIN-2-METHYLESTER |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H60N2O5 |
| InChI | InChI=1S/C41H60N2O5/c1-23(2)24(3)13-14-29(37(46)47-22-32-27(6)42-25(4)26(5)43-32)36-33(45)21-41(12)31-15-16-34-38(8,9)35(48-28(7)44)18-19-39(34,10)30(31)17-20-40(36,41)11/h15,17,23,29,33-36,45H,3,13-14,16,18-22H2,1-2,4-12H3/t29-,33+,34-,35-,36-,39+,40+,41-/m0/s1 |
| InChIKey | MEUWHEBGCBFEHO-IOSLCQJPSA-N |
| Literature Reference Author | P.WANG,G.SHE,Y.YANG,Q.LI,H.ZHANG,J.LIU,Y.CAO,X.XU,H.LEI |
| Literature Reference Citation | MOLECULES,17,4972(2012) |
| Literature Reference DOI | 10.3390/molecules17054972 |
| Molecular Weight | 660.938 g/mol |
| Sample ID | 1049 |
| Solvent | CDCl3 |