| SpectraBase Compound ID | 9bnjjZOtgmx |
|---|---|
| InChI | InChI=1S/C35H62O13S.Na/c1-17(2)19(11-14-46-33-32(41)29(38)24(45-6)16-47-33)8-7-18(3)25-30(39)31(40)26-20-15-23(48-49(42,43)44)27-28(37)22(36)10-13-34(27,4)21(20)9-12-35(25,26)5;/h17-33,36-41H,7-16H2,1-6H3,(H,42,43,44);/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 | IJPLAUFSAJPSQD-ALIINURHSA-M |
| Mol Weight | 744.9 g/mol |
| Molecular Formula | C35H61NaO13S |
| Exact Mass | 744.373057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | B7lI6hPKuPj |
|---|---|
| Name | CERTONARDOSIDE-J;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,15 |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H61NaO13S |
| InChI | InChI=1S/C35H62O13S.Na/c1-17(2)19(11-14-46-33-32(41)29(38)24(45-6)16-47-33)8-7-18(3)25-30(39)31(40)26-20-15-23(48-49(42,43)44)27-28(37)22(36)10-13-34(27,4)21(20)9-12-35(25,26)5;/h17-33,36-41H,7-16H2,1-6H3,(H,42,43,44);/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 | IJPLAUFSAJPSQD-ALIINURHSA-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 | 744.911 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI7249 |