| SpectraBase Compound ID | ggItGM1JDW |
|---|---|
| InChI | InChI=1S/C23H31NO5/c1-13-6-5-7-18-22(13,3)9-8-14(2)23(18,4)11-15-20(28)16(24-12-19(26)27)10-17(25)21(15)29/h10,14,18,24,29H,1,5-9,11-12H2,2-4H3,(H,26,27)/t14-,18+,22+,23+/m0/s1 |
| InChIKey | NNDNTSLKXNJKMJ-LAHPKLRZSA-N |
| Mol Weight | 401.5 g/mol |
| Molecular Formula | C23H31NO5 |
| Exact Mass | 401.220223 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4RYXILnNaAW |
|---|---|
| Name | SMENOSPONGINE_B |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H31NO5 |
| InChI | InChI=1S/C23H31NO5/c1-13-6-5-7-18-22(13,3)9-8-14(2)23(18,4)11-15-20(28)16(24-12-19(26)27)10-17(25)21(15)29/h10,14,18,24,29H,1,5-9,11-12H2,2-4H3,(H,26,27)/t14-,18+,22+,23+/m0/s1 |
| InChIKey | NNDNTSLKXNJKMJ-LAHPKLRZSA-N |
| Literature Reference Author | S.P.B.OVENDEN,J.L.NIELSON,C.H.LIPTROT,R.H.WILLIS,D.M.TAPIOLA S,A.D.WRIGHT,C.A.MOT |
| Literature Reference Citation | J.NAT.PROD.,74,65(2011) |
| Literature Reference DOI | 10.1021/np100669p |
| Molecular Weight | 401.503 g/mol |
| Sample ID | 37710 |
| Solvent | CD3OD |