| SpectraBase Compound ID | FfQyWts1H8q |
|---|---|
| InChI | InChI=1S/C35H60O10/c1-17(2)19(11-14-44-33-32(42)29(39)24(43-6)16-45-33)8-7-18(3)25-30(40)31(41)26-20-15-23(37)27-28(38)22(36)10-13-34(27,4)21(20)9-12-35(25,26)5/h7-8,17-33,36-42H,9-16H2,1-6H3/b8-7+/t18-,19+,20-,21?,22+,23+,24+,25+,26?,27+,28+,29-,30-,31+,32+,33+,34-,35-/m1/s1 |
| InChIKey | AQSAEJUKTYNCIO-NSTVZICCSA-N |
| Mol Weight | 640.9 g/mol |
| Molecular Formula | C35H60O10 |
| Exact Mass | 640.418648 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 13VozZvNrD0 |
|---|---|
| Name | CERTONARDOSIDE_J3;(E)-(24R)-24-(2)-O-BETA-(4-O-METHYL-D-XYLOPYRANOSYL)-24-ETHYL-5-ALPHA-CHOLEST-22-ENE-3-BETA,4-BETA,6-ALPHA,15-BETA,16-BETA,24(2) |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H60O10 |
| InChI | InChI=1S/C35H60O10/c1-17(2)19(11-14-44-33-32(42)29(39)24(43-6)16-45-33)8-7-18(3)25-30(40)31(41)26-20-15-23(37)27-28(38)22(36)10-13-34(27,4)21(20)9-12-35(25,26)5/h7-8,17-33,36-42H,9-16H2,1-6H3/b8-7+/t18-,19+,20-,21?,22+,23+,24+,25+,26?,27+,28+,29-,30-,31+,32+,33+,34-,35-/m1/s1 |
| InChIKey | AQSAEJUKTYNCIO-NSTVZICCSA-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 | 640.855 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ5688 |