| SpectraBase Compound ID | EEtxtqpeUMf |
|---|---|
| InChI | InChI=1S/C30H48O6/c1-18(8-7-12-25(2,3)36-35)19-11-13-27(5)20-9-10-21-28(6,24(33)34)22(31)16-23(32)30(21)17-29(20,30)15-14-26(19,27)4/h7,12,18-23,31-32,35H,8-11,13-17H2,1-6H3,(H,33,34)/b12-7+/t18-,19-,20+,21+,22+,23+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | JTYXNNOTXILRNY-BHYMEYOBSA-N |
| Mol Weight | 504.7 g/mol |
| Molecular Formula | C30H48O6 |
| Exact Mass | 504.345089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L5eWhxaLIOz |
|---|---|
| Name | MUSAMBIN-B;1-ALPHA,3-BETA-DIHYDROXY-25-HYDROPEROXY-CYCLOART-23-(E)-EN-28-CARBOXYLIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O6 |
| InChI | InChI=1S/C30H48O6/c1-18(8-7-12-25(2,3)36-35)19-11-13-27(5)20-9-10-21-28(6,24(33)34)22(31)16-23(32)30(21)17-29(20,30)15-14-26(19,27)4/h7,12,18-23,31-32,35H,8-11,13-17H2,1-6H3,(H,33,34)/b12-7+/t18-,19-,20+,21+,22+,23+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | JTYXNNOTXILRNY-BHYMEYOBSA-N |
| Literature Reference Author | D.LACROIX,S.PRADO,A.DEVILLE,S.KRIEF,V.DUMONTET,J.KASENENE,E. MOURAY,C.BORIES,B.BO |
| Literature Reference Citation | PHYTOCHEM.,70,1239(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.06.020 |
| Molecular Weight | 504.708 g/mol |
| Sample ID | 45564 |
| Solvent | CD3OD |