| SpectraBase Compound ID | 47TCDVQkaZ3 |
|---|---|
| InChI | InChI=1S/C27H44O5/c1-15-23-21(31-27(15)10-9-24(2,14-28)32-27)13-20-18-6-5-16-11-17(29)12-22(30)26(16,4)19(18)7-8-25(20,23)3/h15-23,28-30H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21-,22+,23-,24+,25-,26-,27-/m0/s1 |
| InChIKey | NNPPTPHVNWYNAJ-KBDUVNABSA-N |
| Mol Weight | 448.6 g/mol |
| Molecular Formula | C27H44O5 |
| Exact Mass | 448.318875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Da0eLP0pft3 |
|---|---|
| Name | RUBRAGENIN;(22S,25R)-1-BETA,3-ALPHA,26-TRIHYDROXY-5-ALPHA-FUROSPIROSTANE |
| Compound Number | 83 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O5 |
| InChI | InChI=1S/C27H44O5/c1-15-23-21(31-27(15)10-9-24(2,14-28)32-27)13-20-18-6-5-16-11-17(29)12-22(30)26(16,4)19(18)7-8-25(20,23)3/h15-23,28-30H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21-,22+,23-,24+,25-,26-,27-/m0/s1 |
| InChIKey | NNPPTPHVNWYNAJ-KBDUVNABSA-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 | 448.643 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS22171 |