| SpectraBase Compound ID | 8FXyO0nC0x0 |
|---|---|
| InChI | InChI=1S/C30H48O4/c1-18(2)19(3)7-8-20(4)26-16-27(33)28-24-10-9-22-15-23(32)11-14-30(22,17-34-21(5)31)25(24)12-13-29(26,28)6/h9,18,20,23-28,32-33H,3,7-8,10-17H2,1-2,4-6H3/t20-,23+,24-,25+,26-,27-,28-,29-,30-/m1/s1 |
| InChIKey | JXMQXZBVYYFMBT-HOXVKQKCSA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C30H48O4 |
| Exact Mass | 472.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G9J6AbE3Ity |
|---|---|
| Name | NEBROSTEROID-Q;ERGOST-5-EN-3-BETA,15-BETA,19-TRIOL-19-ACETATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O4 |
| InChI | InChI=1S/C30H48O4/c1-18(2)19(3)7-8-20(4)26-16-27(33)28-24-10-9-22-15-23(32)11-14-30(22,17-34-21(5)31)25(24)12-13-29(26,28)6/h9,18,20,23-28,32-33H,3,7-8,10-17H2,1-2,4-6H3/t20-,23+,24-,25+,26-,27-,28-,29-,30-/m1/s1 |
| InChIKey | JXMQXZBVYYFMBT-HOXVKQKCSA-N |
| Literature Reference Author | S.K.WANG,S.Y.PUU,C.Y.DUH |
| Literature Reference Citation | MAR.DRUGS,11,571(2013) |
| Literature Reference DOI | 10.3390/md11020571 |
| Molecular Weight | 472.709 g/mol |
| Source File Reference | UWLU74764 |