| SpectraBase Compound ID | F6eMse9I29m |
|---|---|
| InChI | InChI=1S/C28H38O7/c1-13-9-20(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)22(32)8-7-21(31)27(28,4)24(15)19(30)11-26(17,18)3/h7-8,14-15,17-20,22-24,29-30,32H,5-6,9-12H2,1-4H3/t14-,15-,17+,18-,19-,20+,22-,23+,24+,26+,27+,28+/m0/s1 |
| InChIKey | UPRPPTFVJBNIPP-VAPFTTHESA-N |
| Mol Weight | 486.6 g/mol |
| Molecular Formula | C28H38O7 |
| Exact Mass | 486.261754 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 83I0UJddiPt |
|---|---|
| Name | WITHALONGOLIDE_C;11-BETA-HYDROXYWITHAFERIN_A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H38O7 |
| InChI | InChI=1S/C28H38O7/c1-13-9-20(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)22(32)8-7-21(31)27(28,4)24(15)19(30)11-26(17,18)3/h7-8,14-15,17-20,22-24,29-30,32H,5-6,9-12H2,1-4H3/t14-,15-,17+,18-,19-,20+,22-,23+,24+,26+,27+,28+/m0/s1 |
| InChIKey | UPRPPTFVJBNIPP-VAPFTTHESA-N |
| Literature Reference Author | H.ZHANG,A.K.SAMADI,R.J.GALLAGHER,J.J.ARAYA,X.TONG,V.W.DAY,M. S.COHEN,K.KINDSCHER, |
| Literature Reference Citation | J.NAT.PROD.,74,2532(2011) |
| Literature Reference DOI | 10.1021/np200635r |
| Molecular Weight | 486.606 g/mol |
| Sample ID | 39630 |
| Solvent | CDCl3 |