| SpectraBase Compound ID | 6XtCzaFjkfz |
|---|---|
| InChI | InChI=1S/C31H46O7S.Na/c1-21-8-16-29-30(3,4)17-6-18-31(29,5)26(21)13-9-23(20-38-39(35,36)37)10-14-27(33)22(2)7-11-24-19-25(32)12-15-28(24)34;/h7-8,12,15,19-20,26-27,29,32-34H,6,9-11,13-14,16-18H2,1-5H3,(H,35,36,37);/q;+1/p-1/b22-7+,23-20+;/t26-,27?,29-,31+;/m0./s1 |
| InChIKey | FQCNUAXWUOUNNK-KSFGPPDLSA-M |
| Mol Weight | 584.7 g/mol |
| Molecular Formula | C31H45NaO7S |
| Exact Mass | 584.278369 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LhmLziwxcLU |
|---|---|
| Name | HIPPOSULFATE-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H45NaO7S |
| InChI | InChI=1S/C31H46O7S.Na/c1-21-8-16-29-30(3,4)17-6-18-31(29,5)26(21)13-9-23(20-38-39(35,36)37)10-14-27(33)22(2)7-11-24-19-25(32)12-15-28(24)34;/h7-8,12,15,19-20,26-27,29,32-34H,6,9-11,13-14,16-18H2,1-5H3,(H,35,36,37);/q;+1/p-1/b22-7+,23-20+;/t26-,27?,29-,31+;/m0./s1 |
| InChIKey | FQCNUAXWUOUNNK-KSFGPPDLSA-M |
| Literature Reference Author | M.MUSMAN,I.I.OHTANI,D.NAGAOKA,J.TANAKA,T.HIGA |
| Literature Reference Citation | J.NAT.PROD.,64,350(2001) |
| Literature Reference DOI | 10.1021/np000060i |
| Molecular Weight | 584.744 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU3837 |