| SpectraBase Compound ID | AOxcsqJwAcZ |
|---|---|
| InChI | InChI=1S/C29H50O4/c1-18(2)19(3)7-8-20(4)23-9-10-24-22-15-26(32)29(33-6)16-21(31)11-14-28(29,17-30)25(22)12-13-27(23,24)5/h18,20-26,30-32H,3,7-17H2,1-2,4-6H3/t20-,21+,22+,23-,24+,25+,26-,27-,28+,29+/m1/s1 |
| InChIKey | SQYCEWLSBTZIBV-GMBHYMDWSA-N |
| Mol Weight | 462.7 g/mol |
| Molecular Formula | C29H50O4 |
| Exact Mass | 462.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GqlQ42MW7GF |
|---|---|
| Name | NEBROSTEROID-P;5-ALPHA-METHOXY-24-METHYLENE-CHOLESTAN-3-BETA,6-BETA-19-TRIOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H50O4 |
| InChI | InChI=1S/C29H50O4/c1-18(2)19(3)7-8-20(4)23-9-10-24-22-15-26(32)29(33-6)16-21(31)11-14-28(29,17-30)25(22)12-13-27(23,24)5/h18,20-26,30-32H,3,7-17H2,1-2,4-6H3/t20-,21+,22+,23-,24+,25+,26-,27-,28+,29+/m1/s1 |
| InChIKey | SQYCEWLSBTZIBV-GMBHYMDWSA-N |
| Literature Reference Author | S.K.WANG,S.Y.PUU,C.Y.DUH |
| Literature Reference Citation | MAR.DRUGS,10,1288(2012) |
| Literature Reference DOI | 10.3390/md10061288 |
| Molecular Weight | 462.714 g/mol |
| Source File Reference | UWIR5832 |