| SpectraBase Compound ID | KZQ48AXkkPO |
|---|---|
| InChI | InChI=1S/C29H42O4/c1-16(18(3)27(32)33)7-8-17(2)21-11-12-23-20-9-10-22-19(4)24(30)13-14-28(22,5)26(20)25(31)15-29(21,23)6/h17-19,21-23H,1,7-15H2,2-6H3,(H,32,33)/t17-,18?,19+,21-,22?,23?,28+,29-/m1/s1 |
| InChIKey | WTSUWKBKPMVEBO-JMDBEUEBSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C29H42O4 |
| Exact Mass | 454.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BP70Z5tav6V |
|---|---|
| Name | 4-ALPHA-METHYLERGOSTA-8,24,(28)-DIEN-3,11-DION-26-OIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42O4 |
| InChI | InChI=1S/C29H42O4/c1-16(18(3)27(32)33)7-8-17(2)21-11-12-23-20-9-10-22-19(4)24(30)13-14-28(22,5)26(20)25(31)15-29(21,23)6/h17-19,21-23H,1,7-15H2,2-6H3,(H,32,33)/t17-,18?,19+,21-,22?,23?,28+,29-/m1/s1 |
| InChIKey | WTSUWKBKPMVEBO-JMDBEUEBSA-N |
| Literature Reference Author | I.H.CHERNG,H.C.CHIANG,M.C.CHENG,Y.WANG |
| Literature Reference Citation | J.NAT.PROD.,58,365(1995) |
| Literature Reference DOI | 10.1021/np50117a004 |
| Molecular Weight | 454.650 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMR10 |