| SpectraBase Compound ID | HQNxan2HBXC |
|---|---|
| InChI | InChI=1S/C28H48O8S.Na/c1-16(2)18(15-36-37(33,34)35)7-6-17(3)22-13-23(30)25-20-12-24(31)28(32)14-19(29)8-11-27(28,5)21(20)9-10-26(22,25)4;/h6-7,16-25,29-32H,8-15H2,1-5H3,(H,33,34,35);/q;+1/p-1/b7-6+;/t17-,18+,19+,20?,21?,22-,23+,24-,25?,26-,27-,28+;/m1./s1 |
| InChIKey | FBWSSWCLAJHRCG-SCZVDJSTSA-M |
| Mol Weight | 566.7 g/mol |
| Molecular Formula | C28H47NaO8S |
| Exact Mass | 566.288934 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6xawffxB2Dk |
|---|---|
| Name | FBWSSWCLAJHRCG-SCZVDJSTSA-M |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H47NaO8S |
| InChI | InChI=1S/C28H48O8S.Na/c1-16(2)18(15-36-37(33,34)35)7-6-17(3)22-13-23(30)25-20-12-24(31)28(32)14-19(29)8-11-27(28,5)21(20)9-10-26(22,25)4;/h6-7,16-25,29-32H,8-15H2,1-5H3,(H,33,34,35);/q;+1/p-1/b7-6+;/t17-,18+,19+,20?,21?,22-,23+,24-,25?,26-,27-,28+;/m1./s1 |
| InChIKey | FBWSSWCLAJHRCG-SCZVDJSTSA-M |
| Literature Reference Author | M.IORIZZI,P.BRYAN,J.MCCLINTOCK,L.MINALE,E.PALAGIANO,S.MAUREL LI,R.RICCIO,F.ZOLLO |
| Literature Reference Citation | J.NAT.PROD.,58,653(1995) |
| Literature Reference DOI | 10.1021/np50119a003 |
| Molecular Weight | 566.726 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP4469 |