| SpectraBase Compound ID | Dn8FSP7GECV |
|---|---|
| InChI | InChI=1S/C31H46O4/c1-18(2)20(5)9-11-24(29(34)35)28-27(33)17-31(8)25-13-10-21(6)22(12-14-26(32)19(3)4)23(25)15-16-30(28,31)7/h10,13,18-19,24,27-28,33H,5,9,11-12,14-17H2,1-4,6-8H3,(H,34,35)/t24-,27+,28-,30+,31-/m0/s1 |
| InChIKey | MFOKWUZMHJXWFI-SJRILYAYSA-N |
| Mol Weight | 482.7 g/mol |
| Molecular Formula | C31H46O4 |
| Exact Mass | 482.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BH3VemaIf9M |
|---|---|
| Name | DAEDALEANIC_ACID_A;16-ALPHA-HYDROXY-24-METHYLENE-3-OXO-19-(10->5)-ABEO-4,5-SECOLANOSTA-5,7,9-TRIEN-21-OIC_ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O4 |
| InChI | InChI=1S/C31H46O4/c1-18(2)20(5)9-11-24(29(34)35)28-27(33)17-31(8)25-13-10-21(6)22(12-14-26(32)19(3)4)23(25)15-16-30(28,31)7/h10,13,18-19,24,27-28,33H,5,9,11-12,14-17H2,1-4,6-8H3,(H,34,35)/t24-,27+,28-,30+,31-/m0/s1 |
| InChIKey | MFOKWUZMHJXWFI-SJRILYAYSA-N |
| Literature Reference Author | K.YOSHIKAWA,K.KOUSO,J.TAKAHASHI,A.MATSUDA,M.OKAZOE,A.UMEYAMA ,S.ARIHARA |
| Literature Reference Citation | J.NAT.PROD.,68,911(2005) |
| Literature Reference DOI | 10.1021/np058024c |
| Molecular Weight | 482.704 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ11615 |