| SpectraBase Compound ID | 89VO2r6wjC5 |
|---|---|
| InChI | InChI=1S/C29H48O4/c1-18(2)7-6-8-19(3)23-9-10-24-27-25(12-13-28(23,24)5)29(17-33-20(4)30)14-11-22(31)15-21(29)16-26(27)32/h16,18-19,22-27,31-32H,6-15,17H2,1-5H3/t19-,22+,23-,24+,25+,26+,27+,28-,29-/m1/s1 |
| InChIKey | MVJKBFFAQXFVJM-TUNIIZQNSA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C29H48O4 |
| Exact Mass | 460.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ElYtNNzs62v |
|---|---|
| Name | NEBROSTEROID-N;CHOLESTA-5-EN-3-BETA,7-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 | C29H48O4 |
| InChI | InChI=1S/C29H48O4/c1-18(2)7-6-8-19(3)23-9-10-24-27-25(12-13-28(23,24)5)29(17-33-20(4)30)14-11-22(31)15-21(29)16-26(27)32/h16,18-19,22-27,31-32H,6-15,17H2,1-5H3/t19-,22+,23-,24+,25+,26+,27+,28-,29-/m1/s1 |
| InChIKey | MVJKBFFAQXFVJM-TUNIIZQNSA-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 | 460.698 g/mol |
| Source File Reference | UWIR5830 |