| SpectraBase Compound ID | AX49stEOY9P |
|---|---|
| InChI | InChI=1S/C35H62O14S.Na/c1-17(2)19(11-14-47-32-30(41)27(38)22(46-6)16-48-32)8-7-18(3)24-28(39)29(40)31-34(24,5)13-10-23-33(4)12-9-20(36)26(37)25(33)21(15-35(23,31)42)49-50(43,44)45;/h17-32,36-42H,7-16H2,1-6H3,(H,43,44,45);/q;+1/p-1/t18-,19+,20+,21+,22+,23?,24?,25?,26+,27-,28-,29-,30+,31?,32+,33-,34-,35+;/m1./s1 |
| InChIKey | NLVHNQPHSCEZHU-AZMGRIOBSA-M |
| Mol Weight | 760.9 g/mol |
| Molecular Formula | C35H61NaO14S |
| Exact Mass | 760.367972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2fvabp3C8eo |
|---|---|
| Name | CERTONARDOSIDE-I;SODIUM-SALT-OF-(24R)-24(2)-O-(4-O-METHYL-BETA-D-XYLOPYRANOSYL)-6-O-SULFONATO-24-ETHYL-5-ALPHA-CHOLESTANE-3-BETA,4-BETA,6-ALPHA,8, |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H61NaO14S |
| InChI | InChI=1S/C35H62O14S.Na/c1-17(2)19(11-14-47-32-30(41)27(38)22(46-6)16-48-32)8-7-18(3)24-28(39)29(40)31-34(24,5)13-10-23-33(4)12-9-20(36)26(37)25(33)21(15-35(23,31)42)49-50(43,44)45;/h17-32,36-42H,7-16H2,1-6H3,(H,43,44,45);/q;+1/p-1/t18-,19+,20+,21+,22+,23?,24?,25?,26+,27-,28-,29-,30+,31?,32+,33-,34-,35+;/m1./s1 |
| InChIKey | NLVHNQPHSCEZHU-AZMGRIOBSA-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 | 760.911 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI7248 |