![CERTONARDOSIDE-F;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/44ox5qejVdx/structure.png?h=300&w=458 "CERTONARDOSIDE-F;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 | LGPCBqGb6j |
|---|---|
| InChI | InChI=1S/C39H68O17S.Na/c1-18(2)23(53-36-33(30(44)25(16-40)54-36)55-35-32(51-7)31(45)26(50-6)17-52-35)9-8-19(3)20-14-22(42)34-37(20,4)13-11-27-38(5)12-10-21(41)29(43)28(38)24(15-39(27,34)46)56-57(47,48)49;/h18-36,40-46H,8-17H2,1-7H3,(H,47,48,49);/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 | OCHPECJZASQPME-HXJCWFCRSA-M |
| Mol Weight | 863.0 g/mol |
| Molecular Formula | C39H67NaO17S |
| Exact Mass | 862.399666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 44ox5qejVdx |
|---|---|
| Name | CERTONARDOSIDE-F;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 | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H67NaO17S |
| InChI | InChI=1S/C39H68O17S.Na/c1-18(2)23(53-36-33(30(44)25(16-40)54-36)55-35-32(51-7)31(45)26(50-6)17-52-35)9-8-19(3)20-14-22(42)34-37(20,4)13-11-27-38(5)12-10-21(41)29(43)28(38)24(15-39(27,34)46)56-57(47,48)49;/h18-36,40-46H,8-17H2,1-7H3,(H,47,48,49);/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 | OCHPECJZASQPME-HXJCWFCRSA-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 | 863.001 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI7245 |