| SpectraBase Compound ID | A2XlW6IrsAl |
|---|---|
| InChI | InChI=1S/C29H52O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-26,30-32H,7-17H2,1-6H3/t19?,20?,21-,22?,23?,24?,25?,26+,27+,28+,29-/m0/s1 |
| InChIKey | VGSSUFQMXBFFTM-JIVIXXINSA-N |
| Mol Weight | 448.7 g/mol |
| Molecular Formula | C29H52O3 |
| Exact Mass | 448.391646 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BtekyCr5FcL |
|---|---|
| Name | 3-BETA,5-ALPHA,6-BETA-TRIHYDROXY-SITOSTANE |
| Compound Number | 4D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H52O3 |
| InChI | InChI=1S/C29H52O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-26,30-32H,7-17H2,1-6H3/t19?,20?,21-,22?,23?,24?,25?,26+,27+,28+,29-/m0/s1 |
| InChIKey | VGSSUFQMXBFFTM-JIVIXXINSA-N |
| Literature Reference Author | W.MEYER,H.JUNGNICKEL,M.JANDKE,K.DETTNER,G.SPITELLER |
| Literature Reference Citation | PHYTOCHEM.,47,789(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00622-5 |
| Molecular Weight | 448.730 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS235 |