| SpectraBase Compound ID | 3qeWCebZ4Kw |
|---|---|
| InChI | InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16-,17-,18-,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1 |
| InChIKey | NCLLSOCDVMFDSK-WSORYGKISA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C27H44O4 |
| Exact Mass | 432.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6lNF2s8THmh |
|---|---|
| Name | BRISBAGENIN;(25R)-1-BETA,3-ALPHA-DIHYDROXY-5-ALPHA-SPIROSTANE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O4 |
| InChI | InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16-,17-,18-,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1 |
| InChIKey | NCLLSOCDVMFDSK-WSORYGKISA-N |
| Literature Reference Author | P.K.AGRAWAL,D.C.JAIN,A.K.PATHAK |
| Literature Reference Citation | MAGN.RES.CHEM.,33,923(1995) |
| Literature Reference DOI | 10.1002/mrc.1260331202 |
| Molecular Weight | 432.644 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS22095 |