| SpectraBase Compound ID | BV7dxTfMtoH |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-18(2)19(3)8-9-20(4)22-13-17-29(32-31)25-11-10-23-21(5)26(30)14-15-27(23,6)24(25)12-16-28(22,29)7/h11,18-20,22-24,26,30-31H,5,8-10,12-17H2,1-4,6-7H3/t19-,20-,22-,23+,24+,26+,27+,28-,29-/m1/s1 |
| InChIKey | XFGFTHAGNDOXJI-DQSIGSONSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Bif4Og9KsH |
|---|---|
| Name | CONICASTEROL-H |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-18(2)19(3)8-9-20(4)22-13-17-29(32-31)25-11-10-23-21(5)26(30)14-15-27(23,6)24(25)12-16-28(22,29)7/h11,18-20,22-24,26,30-31H,5,8-10,12-17H2,1-4,6-7H3/t19-,20-,22-,23+,24+,26+,27+,28-,29-/m1/s1 |
| InChIKey | XFGFTHAGNDOXJI-DQSIGSONSA-N |
| Literature Reference Author | S.DEMARINO,R.UMMARINO,M.V.DAURIA,M.G.CHINI,G.BIFULCO,C.DAMOR E,B.RENGA,A.MENCAREL |
| Literature Reference Citation | STEROIDS,77,484(2012) |
| Literature Reference DOI | 10.1016/j.steroids.2012.01.006 |
| Molecular Weight | 444.698 g/mol |
| Sample ID | 70593 |
| Solvent | C6D6 |