![CERTONARDOSIDE-H;(24S)-24-O-[2,4-DI-O-METHYL-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-XYLOFURANOSYL]-5-ALPHA-CHOLESTANE-3-BETA,4-BETA,6-ALPHA,15-BETA,24-](/api/spectrum/Bf2tzQRzSYt/structure.png?h=300&w=458 "CERTONARDOSIDE-H;(24S)-24-O-[2,4-DI-O-METHYL-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-XYLOFURANOSYL]-5-ALPHA-CHOLESTANE-3-BETA,4-BETA,6-ALPHA,15-BETA,24-")
| SpectraBase Compound ID | CXI7Hby5LRF |
|---|---|
| InChI | InChI=1S/C39H68O13/c1-18(2)26(50-37-35(32(45)27(16-40)51-37)52-36-34(48-7)33(46)28(47-6)17-49-36)9-8-19(3)22-15-25(43)29-20-14-24(42)30-31(44)23(41)11-13-38(30,4)21(20)10-12-39(22,29)5/h18-37,40-46H,8-17H2,1-7H3/t19-,20-,21?,22?,23+,24+,25-,26+,27-,28-,29?,30?,31+,32+,33+,34-,35-,36+,37-,38-,39-/m1/s1 |
| InChIKey | NYZYTLFOAUNRRR-OCGZWXPVSA-N |
| Mol Weight | 745.0 g/mol |
| Molecular Formula | C39H68O13 |
| Exact Mass | 744.465992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bf2tzQRzSYt |
|---|---|
| Name | CERTONARDOSIDE-H;(24S)-24-O-[2,4-DI-O-METHYL-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-XYLOFURANOSYL]-5-ALPHA-CHOLESTANE-3-BETA,4-BETA,6-ALPHA,15-BETA,24- |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H68O13 |
| InChI | InChI=1S/C39H68O13/c1-18(2)26(50-37-35(32(45)27(16-40)51-37)52-36-34(48-7)33(46)28(47-6)17-49-36)9-8-19(3)22-15-25(43)29-20-14-24(42)30-31(44)23(41)11-13-38(30,4)21(20)10-12-39(22,29)5/h18-37,40-46H,8-17H2,1-7H3/t19-,20-,21?,22?,23+,24+,25-,26+,27-,28-,29?,30?,31+,32+,33+,34-,35-,36+,37-,38-,39-/m1/s1 |
| InChIKey | NYZYTLFOAUNRRR-OCGZWXPVSA-N |
| 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 | 744.961 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI7247 |