| SpectraBase Compound ID | 72jSOsvnXP6 |
|---|---|
| InChI | InChI=1S/C27H42O5/c1-14-11-20(29)27(31-13-14)15(2)21-24(32-27)23(30)22-18-6-5-16-12-17(28)7-9-25(16,3)19(18)8-10-26(21,22)4/h5,14-15,17-24,28-30H,6-13H2,1-4H3/t14-,15+,17+,18-,19+,20+,21+,22-,23-,24-,25+,26-,27+/m1/s1 |
| InChIKey | WQAUECQWLVXHPS-FKESEWRJSA-N |
| Mol Weight | 446.6 g/mol |
| Molecular Formula | C27H42O5 |
| Exact Mass | 446.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BmRVNK3oLg7 |
|---|---|
| Name | SCOPOLOGENIN;(25R)-3-BETA,15-ALPHA,23-ALPHA-TRIHYDROXY-SPIROSTAN-5-ENE |
| Compound Number | 65 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O5 |
| InChI | InChI=1S/C27H42O5/c1-14-11-20(29)27(31-13-14)15(2)21-24(32-27)23(30)22-18-6-5-16-12-17(28)7-9-25(16,3)19(18)8-10-26(21,22)4/h5,14-15,17-24,28-30H,6-13H2,1-4H3/t14-,15+,17+,18-,19+,20+,21+,22-,23-,24-,25+,26-,27+/m1/s1 |
| InChIKey | WQAUECQWLVXHPS-FKESEWRJSA-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 | 446.627 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS22153 |