![CERTONARDOSIDE-B;SODIUM-SALT-OF-26-O-[2-O-METHYL-BETA-D-XYLOPYRANOSYL-(1->2)-3-O-SULFONATO-BETA-D-XYLOPYRANOSYL]-24-METHYL-5-ALPHA,25-XI-CHOLEST-24](/api/spectrum/22LdFE6bL2g/structure.png?h=300&w=458 "CERTONARDOSIDE-B;SODIUM-SALT-OF-26-O-[2-O-METHYL-BETA-D-XYLOPYRANOSYL-(1->2)-3-O-SULFONATO-BETA-D-XYLOPYRANOSYL]-24-METHYL-5-ALPHA,25-XI-CHOLEST-24")
| SpectraBase Compound ID | 4NVxYjQgFcR |
|---|---|
| InChI | InChI=1S/C39H66O15S.Na/c1-19(21(3)16-50-36-35(33(30(44)18-51-36)54-55(46,47)48)53-37-34(49-6)32(45)29(43)17-52-37)7-8-20(2)25-15-28(42)31-23-14-27(41)26-13-22(40)9-11-38(26,4)24(23)10-12-39(25,31)5;/h20-37,40-45H,1,7-18H2,2-6H3,(H,46,47,48);/q;+1/p-1/t20-,21?,22+,23-,24?,25?,26?,27+,28-,29-,30-,31?,32+,33+,34-,35-,36-,37+,38-,39-;/m1./s1 |
| InChIKey | PXFIBXFSHOYJAV-UXIRAZHJSA-M |
| Mol Weight | 829.0 g/mol |
| Molecular Formula | C39H65NaO15S |
| Exact Mass | 828.394187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 22LdFE6bL2g |
|---|---|
| Name | CERTONARDOSIDE-B;SODIUM-SALT-OF-26-O-[2-O-METHYL-BETA-D-XYLOPYRANOSYL-(1->2)-3-O-SULFONATO-BETA-D-XYLOPYRANOSYL]-24-METHYL-5-ALPHA,25-XI-CHOLEST-24 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H65NaO15S |
| InChI | InChI=1S/C39H66O15S.Na/c1-19(21(3)16-50-36-35(33(30(44)18-51-36)54-55(46,47)48)53-37-34(49-6)32(45)29(43)17-52-37)7-8-20(2)25-15-28(42)31-23-14-27(41)26-13-22(40)9-11-38(26,4)24(23)10-12-39(25,31)5;/h20-37,40-45H,1,7-18H2,2-6H3,(H,46,47,48);/q;+1/p-1/t20-,21?,22+,23-,24?,25?,26?,27+,28-,29-,30-,31?,32+,33+,34-,35-,36-,37+,38-,39-;/m1./s1 |
| InChIKey | PXFIBXFSHOYJAV-UXIRAZHJSA-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 | 828.986 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI7240 |