| SpectraBase Compound ID | CksO13zYGI2 |
|---|---|
| InChI | InChI=1S/C30H52O5/c1-18(8-9-19(2)27(4,5)33)23-10-11-24-22-16-26(35-20(3)31)30(34)17-21(32)12-15-29(30,7)25(22)13-14-28(23,24)6/h18-19,21-26,32-34H,8-17H2,1-7H3/t18-,19+,21+,22+,23-,24+,25+,26-,28-,29-,30+/m1/s1 |
| InChIKey | HRDYQGMSQPIBPF-GCYJJEFRSA-N |
| Mol Weight | 492.7 g/mol |
| Molecular Formula | C30H52O5 |
| Exact Mass | 492.381475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JY2hN83EUX8 |
|---|---|
| Name | (24S)-ERGOSTANE-6-ACETATE-3-BETA,5-ALPHA,6-BETA,25-TETRAOL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H52O5 |
| InChI | InChI=1S/C30H52O5/c1-18(8-9-19(2)27(4,5)33)23-10-11-24-22-16-26(35-20(3)31)30(34)17-21(32)12-15-29(30,7)25(22)13-14-28(23,24)6/h18-19,21-26,32-34H,8-17H2,1-7H3/t18-,19+,21+,22+,23-,24+,25+,26-,28-,29-,30+/m1/s1 |
| InChIKey | HRDYQGMSQPIBPF-GCYJJEFRSA-N |
| Literature Reference Author | R.LI,C.L.SHAO,X.QI,X.B.LI,J.LI,L.L.SUN,C.Y.WANG |
| Literature Reference Citation | MAR.DRUGS,10,1422(2012) |
| Literature Reference DOI | 10.3390/md10071422 |
| Molecular Weight | 492.740 g/mol |
| Source File Reference | UWIR5850 |