| SpectraBase Compound ID | JSsAvP6amZM |
|---|---|
| InChI | InChI=1S/C29H50O4/c1-7-18(16(2)3)14-24(31)17(4)19-8-9-20-26-21(10-12-28(19,20)5)29(6)13-11-23(30)27(33)22(29)15-25(26)32/h15-21,23-27,30-33H,7-14H2,1-6H3/t17-,18-,19?,20-,21-,23-,24-,25+,26-,27+,28+,29+/m0/s1 |
| InChIKey | FWYCPLNBQGHPTR-ORBJFSFPSA-N |
| Mol Weight | 462.7 g/mol |
| Molecular Formula | C29H50O4 |
| Exact Mass | 462.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6sbhcfBV8N3 |
|---|---|
| Name | STIGMAST-5-ENE-3-BETA,4-BETA,7-ALPHA,22-ALPHA-TETRAOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H50O4 |
| InChI | InChI=1S/C29H50O4/c1-7-18(16(2)3)14-24(31)17(4)19-8-9-20-26-21(10-12-28(19,20)5)29(6)13-11-23(30)27(33)22(29)15-25(26)32/h15-21,23-27,30-33H,7-14H2,1-6H3/t17-,18-,19?,20-,21-,23-,24-,25+,26-,27+,28+,29+/m0/s1 |
| InChIKey | FWYCPLNBQGHPTR-ORBJFSFPSA-N |
| Literature Reference Author | Y.LI,M.ISHIBASHI,M.SATAKE,X.CHEN,Y.OSHIMA,Y.OHIZUMI |
| Literature Reference Citation | J.NAT.PROD.,66,696(2003) |
| Literature Reference DOI | 10.1021/np020577p |
| Molecular Weight | 462.714 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI7788 |