![CERTONARDOSIDE-E;SODIUM-SALT-OF-(E)-(24R,25S)-26-O-[2-O-METHYL-BETA-D-XYLOPYRANOSYL-(1->2)-3-O-SULFONATO-BETA-D-XYLOPYRANOSYL]-24-METHYL-5-ALPHA-CH](/api/spectrum/KQb6QYBrg5d/structure.png?h=300&w=458 "CERTONARDOSIDE-E;SODIUM-SALT-OF-(E)-(24R,25S)-26-O-[2-O-METHYL-BETA-D-XYLOPYRANOSYL-(1->2)-3-O-SULFONATO-BETA-D-XYLOPYRANOSYL]-24-METHYL-5-ALPHA-CH")
| SpectraBase Compound ID | 4NyJagPeNN6 |
|---|---|
| InChI | InChI=1S/C39H66O16S.Na/c1-19(21(3)16-51-35-33(31(28(44)18-52-35)55-56(47,48)49)54-36-32(50-6)30(45)27(43)17-53-36)7-8-20(2)23-14-25(41)34-38(23,5)12-10-29-37(4)11-9-22(40)13-24(37)26(42)15-39(29,34)46;/h7-8,19-36,40-46H,9-18H2,1-6H3,(H,47,48,49);/q;+1/p-1/b8-7+;/t19-,20+,21-,22-,23?,24?,25+,26-,27+,28+,29?,30-,31-,32+,33+,34?,35+,36-,37-,38+,39-;/m0./s1 |
| InChIKey | STUBZAPXTHEWSB-OGOJYACLSA-M |
| Mol Weight | 845.0 g/mol |
| Molecular Formula | C39H65NaO16S |
| Exact Mass | 844.389101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KQb6QYBrg5d |
|---|---|
| Name | CERTONARDOSIDE-E;SODIUM-SALT-OF-(E)-(24R,25S)-26-O-[2-O-METHYL-BETA-D-XYLOPYRANOSYL-(1->2)-3-O-SULFONATO-BETA-D-XYLOPYRANOSYL]-24-METHYL-5-ALPHA-CH |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H65NaO16S |
| InChI | InChI=1S/C39H66O16S.Na/c1-19(21(3)16-51-35-33(31(28(44)18-52-35)55-56(47,48)49)54-36-32(50-6)30(45)27(43)17-53-36)7-8-20(2)23-14-25(41)34-38(23,5)12-10-29-37(4)11-9-22(40)13-24(37)26(42)15-39(29,34)46;/h7-8,19-36,40-46H,9-18H2,1-6H3,(H,47,48,49);/q;+1/p-1/b8-7+;/t19-,20+,21-,22-,23?,24?,25+,26-,27+,28+,29?,30-,31-,32+,33+,34?,35+,36-,37-,38+,39-;/m0./s1 |
| InChIKey | STUBZAPXTHEWSB-OGOJYACLSA-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 | 844.985 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI7243 |