| SpectraBase Compound ID | GHQUU8Ong97 |
|---|---|
| InChI | InChI=1S/C29H50O3/c1-7-20(18(2)3)9-8-19(4)22-10-11-23-26-24(13-14-27(22,23)5)28(6)15-12-21(30)16-29(28,32)17-25(26)31/h19-26,30-32H,2,7-17H2,1,3-6H3/t19-,20-,21+,22-,23?,24?,25-,26+,27-,28-,29+/m1/s1 |
| InChIKey | GVQRWRMSCLGAJS-LVZKDSRZSA-N |
| Mol Weight | 446.7 g/mol |
| Molecular Formula | C29H50O3 |
| Exact Mass | 446.375995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ifL0SUH1Ma |
|---|---|
| Name | COLEBrIN-B;(24S)-STIGMAST-25-ENE-3-BETA,5-ALPHA,7-ALPHA-TRIOL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H50O3 |
| InChI | InChI=1S/C29H50O3/c1-7-20(18(2)3)9-8-19(4)22-10-11-23-26-24(13-14-27(22,23)5)28(6)15-12-21(30)16-29(28,32)17-25(26)31/h19-26,30-32H,2,7-17H2,1,3-6H3/t19-,20-,21+,22-,23?,24?,25-,26+,27-,28-,29+/m1/s1 |
| InChIKey | GVQRWRMSCLGAJS-LVZKDSRZSA-N |
| Literature Reference Author | H.YANG,J.WANG,A.J.HOU,Y.P.GUO,Z.W.LIN,H.D.SUN |
| Literature Reference Citation | FITOTERAPIA,71,641(2000) |
| Literature Reference DOI | 10.1016/S0367-326X(00)00223-9 |
| Molecular Weight | 446.714 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN3891 |