SpectraBase Compound ID | 1eJoKmNAg3K |
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InChI | InChI=1S/C29H44O4/c1-16-9-12-29(25(32)33)14-13-27(5)20(23(29)17(16)2)7-8-22-26(4)15-21(30)24(31)18(3)19(26)10-11-28(22,27)6/h7,16-17,19,21-24,30-31H,3,8-15H2,1-2,4-6H3,(H,32,33)/t16-,17+,19+,21-,22-,23+,24-,26+,27-,28-,29+/m1/s1 |
InChIKey | RDOIACMZJPLQIZ-FNVOJQHCSA-N |
Mol Weight | 456.7 g/mol |
Molecular Formula | C29H44O4 |
Exact Mass | 456.32396 g/mol |
SpectraBase Spectrum ID | FKWSOhkNc4 |
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Name | ILEKUDINOL-B;2-ALPHA,3-BETA-DIHYDROXY-24-NOR-URS-4(23),12-DIEN-28-OIC-ACID |
Compound Number | 2 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C29H44O4 |
InChI | InChI=1S/C29H44O4/c1-16-9-12-29(25(32)33)14-13-27(5)20(23(29)17(16)2)7-8-22-26(4)15-21(30)24(31)18(3)19(26)10-11-28(22,27)6/h7,16-17,19,21-24,30-31H,3,8-15H2,1-2,4-6H3,(H,32,33)/t16-,17+,19+,21-,22-,23+,24-,26+,27-,28-,29+/m1/s1 |
InChIKey | RDOIACMZJPLQIZ-FNVOJQHCSA-N |
Literature Reference Author | K.NISHIMURA,T.FUKUDA,T.MIYASE,H.NOGUCHI,X.M.CHEN |
Literature Reference Citation | J.NAT.PROD.,62,1061(1999) |
Literature Reference DOI | 10.1021/np990019j |
Molecular Weight | 456.666 g/mol |
Solvent | PYRIDINE-D5 |
Source File Reference | UWCP8670 |