![CERTONARDOSIDE_B3;(E)-(24R)-24-(1)-O-BETA-[2,4-DI-O-METHYL-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOFURANOSYL]-24-METHYL-5-ALPHA-CHOLEST-22-ENE-3-BET](/api/spectrum/9SMlA0J4q3w/structure.png?h=300&w=458 "CERTONARDOSIDE_B3;(E)-(24R)-24-(1)-O-BETA-[2,4-DI-O-METHYL-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOFURANOSYL]-24-METHYL-5-ALPHA-CHOLEST-22-ENE-3-BET")
| SpectraBase Compound ID | CdU9njghpff |
|---|---|
| InChI | InChI=1S/C40H68O12/c1-20(2)22(18-49-38-36(33(45)30(17-41)51-38)52-37-35(48-7)34(46)31(47-6)19-50-37)9-8-21(3)26-16-29(44)32-24-15-28(43)27-14-23(42)10-12-39(27,4)25(24)11-13-40(26,32)5/h8-9,20-38,41-46H,10-19H2,1-7H3/b9-8+/t21-,22-,23?,24?,25?,26-,27?,28?,29?,30+,31+,32?,33-,34-,35+,36+,37-,38+,39?,40?/m1/s1 |
| InChIKey | HYHAOXIXQYQVNQ-NEWMVHQOSA-N |
| Mol Weight | 741.0 g/mol |
| Molecular Formula | C40H68O12 |
| Exact Mass | 740.471078 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9SMlA0J4q3w |
|---|---|
| Name | CERTONARDOSIDE_B3;(E)-(24R)-24-(1)-O-BETA-[2,4-DI-O-METHYL-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOFURANOSYL]-24-METHYL-5-ALPHA-CHOLEST-22-ENE-3-BET |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H68O12 |
| InChI | InChI=1S/C40H68O12/c1-20(2)22(18-49-38-36(33(45)30(17-41)51-38)52-37-35(48-7)34(46)31(47-6)19-50-37)9-8-21(3)26-16-29(44)32-24-15-28(43)27-14-23(42)10-12-39(27,4)25(24)11-13-40(26,32)5/h8-9,20-38,41-46H,10-19H2,1-7H3/b9-8+/t21-,22-,23?,24?,25?,26-,27?,28?,29?,30+,31+,32?,33-,34-,35+,36+,37-,38+,39?,40?/m1/s1 |
| InChIKey | HYHAOXIXQYQVNQ-NEWMVHQOSA-N |
| Literature Reference Author | W.WANG,J.HONG,C.O.LEE,K.S.IM,J.S.CHOI,J.H.JUNG |
| Literature Reference Citation | J.NAT.PROD.,67,584(2004) |
| Literature Reference DOI | 10.1021/np030427u |
| Molecular Weight | 740.973 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ5692 |