| SpectraBase Compound ID | 9Vp5TXMwNWS |
|---|---|
| InChI | InChI=1S/C30H52O5/c1-17(8-9-18(2)28(4,5)34)22-10-11-23-21-15-26(35-19(3)31)25-14-20(32)12-13-29(25,6)24(21)16-27(33)30(22,23)7/h17-18,20-27,32-34H,8-16H2,1-7H3/t17-,18+,20+,21+,22-,23+,24+,25-,26-,27-,29-,30-/m1/s1 |
| InChIKey | PANGWZXVUGCMCJ-IXUKAOFQSA-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 | 2OdaJ1QI7JR |
|---|---|
| Name | (24S)-ERGOSTANE-6-ACETATE-3-BETA,6-BETA,12-BETA,25-TETRAOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H52O5 |
| InChI | InChI=1S/C30H52O5/c1-17(8-9-18(2)28(4,5)34)22-10-11-23-21-15-26(35-19(3)31)25-14-20(32)12-13-29(25,6)24(21)16-27(33)30(22,23)7/h17-18,20-27,32-34H,8-16H2,1-7H3/t17-,18+,20+,21+,22-,23+,24+,25-,26-,27-,29-,30-/m1/s1 |
| InChIKey | PANGWZXVUGCMCJ-IXUKAOFQSA-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 | UWIR5851 |