| SpectraBase Compound ID | 4Nd1NElKHmg |
|---|---|
| InChI | InChI=1S/C31H48O6/c1-18(2)9-8-10-19(3)23-11-12-24-28(23,6)15-14-25-29(7)16-13-22(35-20(4)32)17-30(29,34)26(36-21(5)33)27-31(24,25)37-27/h8,10,18-19,22-27,34H,9,11-17H2,1-7H3/b10-8+/t19?,22-,23+,24?,25?,26-,27+,28+,29+,30-,31-/m0/s1 |
| InChIKey | YQPADIXARBXWKB-VSZGXTHHSA-N |
| Mol Weight | 516.7 g/mol |
| Molecular Formula | C31H48O6 |
| Exact Mass | 516.345089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4W6CKCikL3e |
|---|---|
| Name | 3-BETA,6-ALPHA-DIACETOXY-7-ALPHA,8-ALPHA-EPOXY-5-ALPHA-HYDROXYCHOLEST-22-ENE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O6 |
| InChI | InChI=1S/C31H48O6/c1-18(2)9-8-10-19(3)23-11-12-24-28(23,6)15-14-25-29(7)16-13-22(35-20(4)32)17-30(29,34)26(36-21(5)33)27-31(24,25)37-27/h8,10,18-19,22-27,34H,9,11-17H2,1-7H3/b10-8+/t19?,22-,23+,24?,25?,26-,27+,28+,29+,30-,31-/m0/s1 |
| InChIKey | YQPADIXARBXWKB-VSZGXTHHSA-N |
| Literature Reference Author | J.SHIN,Y.SEO,J.R.RHO,K.W.CHO |
| Literature Reference Citation | J.NAT.PROD.,59,679(1996) |
| Literature Reference DOI | 10.1021/np960173v |
| Molecular Weight | 516.719 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS15311 |