| SpectraBase Compound ID | 7B1x42PVkAX |
|---|---|
| InChI | InChI=1S/C40H70O12/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/h20-38,41-46H,8-19H2,1-7H3/t21-,22-,23?,24?,25?,26-,27?,28?,29?,30+,31+,32?,33-,34-,35+,36+,37-,38+,39?,40?/m1/s1 |
| InChIKey | XFGYQNJSCILGFQ-ATYWYVOKSA-N |
| Mol Weight | 743.0 g/mol |
| Molecular Formula | C40H70O12 |
| Exact Mass | 742.486728 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KgC2fAGepa9 |
|---|---|
| Name | CERTONARDOSIDE_B2;(24S)-24-(1)-O-BETA-[2,4-DI-O-METHYL-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOFURANOSYL)-24-METHYL-5-ALPHA-CHOLESTANE-3-BETA,6-ALPH |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H70O12 |
| InChI | InChI=1S/C40H70O12/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/h20-38,41-46H,8-19H2,1-7H3/t21-,22-,23?,24?,25?,26-,27?,28?,29?,30+,31+,32?,33-,34-,35+,36+,37-,38+,39?,40?/m1/s1 |
| InChIKey | XFGYQNJSCILGFQ-ATYWYVOKSA-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 | 742.989 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ5691 |