| SpectraBase Compound ID | 6473drvzAkw |
|---|---|
| InChI | InChI=1S/C35H62O9/c1-18(2)20(11-14-43-33-32(41)29(38)26(42-6)17-44-33)8-7-19(3)27-30(39)31(40)28-22-16-25(37)24-15-21(36)9-12-34(24,4)23(22)10-13-35(27,28)5/h18-33,36-41H,7-17H2,1-6H3/t19-,20+,21?,22?,23?,24?,25?,26+,27?,28?,29-,30?,31?,32+,33+,34?,35?/m1/s1 |
| InChIKey | RTMBOQDHPKLNKR-FVMCPRJDSA-N |
| Mol Weight | 626.9 g/mol |
| Molecular Formula | C35H62O9 |
| Exact Mass | 626.439384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ejz7yXOfjuy |
|---|---|
| Name | CERTONARDOSIDE_O1;(24R)-24-(2)-O-BETA-(4-O-METHYL-D-XYLOPYRANOSYL)-24-ETHYL-5-ALPHA-CHOLESTANE-3-BETA,6-ALPHA,15-BETA,16-BETA,24(2)-PENTOL |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H62O9 |
| InChI | InChI=1S/C35H62O9/c1-18(2)20(11-14-43-33-32(41)29(38)26(42-6)17-44-33)8-7-19(3)27-30(39)31(40)28-22-16-25(37)24-15-21(36)9-12-34(24,4)23(22)10-13-35(27,28)5/h18-33,36-41H,7-17H2,1-6H3/t19-,20+,21?,22?,23?,24?,25?,26+,27?,28?,29-,30?,31?,32+,33+,34?,35?/m1/s1 |
| InChIKey | RTMBOQDHPKLNKR-FVMCPRJDSA-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 | 626.872 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ5685 |