| SpectraBase Compound ID | 9ai8JKd2Hmg |
|---|---|
| InChI | InChI=1S/C27H46O9S.Na/c1-24(2)12-7-13-26(4)19(24)11-14-25(3)18(17(8-9-20(25)26)16-35-37(30,31)32)10-15-27(29)21(28)22(33-5)36-23(27)34-6;/h16,18-23,28-29H,7-15H2,1-6H3,(H,30,31,32);/q;+1/p-1/b17-16+;/t18-,19-,20-,21-,22+,23-,25+,26-,27-;/m0./s1 |
| InChIKey | GFJVVNHKRRGZOW-PNSHEXGWSA-M |
| Mol Weight | 568.7 g/mol |
| Molecular Formula | C27H45NaO9S |
| Exact Mass | 568.268198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Yp4MJpU04c |
|---|---|
| Name | GFJVVNHKRRGZOW-PNSHEXGWSA-M |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H45NaO9S |
| InChI | InChI=1S/C27H46O9S.Na/c1-24(2)12-7-13-26(4)19(24)11-14-25(3)18(17(8-9-20(25)26)16-35-37(30,31)32)10-15-27(29)21(28)22(33-5)36-23(27)34-6;/h16,18-23,28-29H,7-15H2,1-6H3,(H,30,31,32);/q;+1/p-1/b17-16+;/t18-,19-,20-,21-,22+,23-,25+,26-,27-;/m0./s1 |
| InChIKey | GFJVVNHKRRGZOW-PNSHEXGWSA-M |
| Literature Reference Author | J.BAE,J.JEON,<.J.LEE,H.S.LEE,C.J.SIM,K.B.OH,J.SHIN |
| Literature Reference Citation | J.NAT.PROD.,74,1805(2011) |
| Literature Reference DOI | 10.1021/np200492k |
| Molecular Weight | 568.699 g/mol |
| Sample ID | 39153 |
| Solvent | CD3OD |