| SpectraBase Compound ID | C18jlCJWmq4 |
|---|---|
| InChI | InChI=1S/C47H82O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-41(48)49-40-29-31-45(7)38(43(40,4)5)28-32-47(9)39(45)26-25-37-42-36(3)35(2)27-30-44(42,6)33-34-46(37,47)8/h25,35-36,38-40,42H,10-24,26-34H2,1-9H3/t35-,36+,38+,39-,40+,42+,44-,45+,46-,47-/m1/s1 |
| InChIKey | WCIOCCLASQVYIC-SMJMKRRKSA-N |
| Mol Weight | 679.2 g/mol |
| Molecular Formula | C47H82O2 |
| Exact Mass | 678.631482 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5WI9gqxcE5G |
|---|---|
| Name | ALPHA-AMYRIN-MARGARATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H82O2 |
| InChI | InChI=1S/C47H82O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-41(48)49-40-29-31-45(7)38(43(40,4)5)28-32-47(9)39(45)26-25-37-42-36(3)35(2)27-30-44(42,6)33-34-46(37,47)8/h25,35-36,38-40,42H,10-24,26-34H2,1-9H3/t35-,36+,38+,39-,40+,42+,44-,45+,46-,47-/m1/s1 |
| InChIKey | WCIOCCLASQVYIC-SMJMKRRKSA-N |
| Literature Reference Author | Y.C.SHEN,C.V.S.PRAKASH,L.T.WANG,C.T.CHIEN,M.C.HUNG |
| Literature Reference Citation | J.CHIN.CHEM.SOC.,50,297(2003) |
| Literature Reference DOI | 10.1002/jccs.200300044 |
| Molecular Weight | 679.167 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS3501 |