| SpectraBase Compound ID | FZvkHn6tQKX |
|---|---|
| InChI | InChI=1S/C22H32O6S.Na/c1-20(2)7-5-8-21(3)16(20)6-9-22(4)17(21)11-14-18(22)13(12-23)10-15(24)19(14)28-29(25,26)27;/h10,16-17,23-24H,5-9,11-12H2,1-4H3,(H,25,26,27);/q;+1/p-1/t16-,17+,21-,22-;/m0./s1 |
| InChIKey | JCQUFBWYIGJVBM-UFHDEJEESA-M |
| Mol Weight | 446.53 g/mol |
| Molecular Formula | C22H31NaO6S |
| Exact Mass | 446.173904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9IgJZxzPbOo |
|---|---|
| Name | AKAOL-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H31NaO6S |
| InChI | InChI=1S/C22H32O6S.Na/c1-20(2)7-5-8-21(3)16(20)6-9-22(4)17(21)11-14-18(22)13(12-23)10-15(24)19(14)28-29(25,26)27;/h10,16-17,23-24H,5-9,11-12H2,1-4H3,(H,25,26,27);/q;+1/p-1/t16-,17+,21-,22-;/m0./s1 |
| InChIKey | JCQUFBWYIGJVBM-UFHDEJEESA-M |
| Literature Reference Author | V.J.R.V.MUKKU,R.A.EDRADA,F.J.SCHMITZ,M.K.SHANKS,B.CHAUDHURI, D.FABBRO |
| Literature Reference Citation | J.NAT.PROD.,66,686(2003) |
| Literature Reference DOI | 10.1021/np0205506 |
| Molecular Weight | 446.534 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI7781 |