![CERTONARDOSIDE-G;SODIUM-SALT-OF-(24S)-24-O-[2,4-DI-O-METHYL-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-XYLOFURANOSYL]-6-O-SULFONATO-5-ALPHA-CHOLESTANE-3-BE](/api/spectrum/HzAlGuUBCLm/structure.png?h=300&w=458 "CERTONARDOSIDE-G;SODIUM-SALT-OF-(24S)-24-O-[2,4-DI-O-METHYL-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-XYLOFURANOSYL]-6-O-SULFONATO-5-ALPHA-CHOLESTANE-3-BE")
| SpectraBase Compound ID | C2fBvFI9zCO |
|---|---|
| InChI | InChI=1S/C39H68O16S.Na/c1-18(2)25(52-37-35(32(44)27(16-40)53-37)54-36-34(50-7)33(45)28(49-6)17-51-36)9-8-19(3)22-15-24(42)29-20-14-26(55-56(46,47)48)30-31(43)23(41)11-13-38(30,4)21(20)10-12-39(22,29)5;/h18-37,40-45H,8-17H2,1-7H3,(H,46,47,48);/q;+1/p-1/t19-,20-,21?,22?,23+,24-,25+,26+,27-,28-,29?,30?,31+,32+,33+,34-,35-,36+,37-,38-,39-;/m1./s1 |
| InChIKey | YOZOJLIXLQHHBC-SDEFTDIWSA-M |
| Mol Weight | 847.0 g/mol |
| Molecular Formula | C39H67NaO16S |
| Exact Mass | 846.404752 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HzAlGuUBCLm |
|---|---|
| Name | CERTONARDOSIDE-G;SODIUM-SALT-OF-(24S)-24-O-[2,4-DI-O-METHYL-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-XYLOFURANOSYL]-6-O-SULFONATO-5-ALPHA-CHOLESTANE-3-BE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H67NaO16S |
| InChI | InChI=1S/C39H68O16S.Na/c1-18(2)25(52-37-35(32(44)27(16-40)53-37)54-36-34(50-7)33(45)28(49-6)17-51-36)9-8-19(3)22-15-24(42)29-20-14-26(55-56(46,47)48)30-31(43)23(41)11-13-38(30,4)21(20)10-12-39(22,29)5;/h18-37,40-45H,8-17H2,1-7H3,(H,46,47,48);/q;+1/p-1/t19-,20-,21?,22?,23+,24-,25+,26+,27-,28-,29?,30?,31+,32+,33+,34-,35-,36+,37-,38-,39-;/m1./s1 |
| InChIKey | YOZOJLIXLQHHBC-SDEFTDIWSA-M |
| Literature Reference Author | W.WANG,F.LI,N.ALAM,Y.LIU,J.HONG,C.K.LEE,K.S.IM,J.H.JUNG |
| Literature Reference Citation | J.NAT.PROD.,65,1649(2002) |
| Literature Reference DOI | 10.1021/np020234r |
| Molecular Weight | 847.001 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI7246 |