| SpectraBase Compound ID | 4TCapsH5m7X |
|---|---|
| InChI | InChI=1S/C27H44O5/c1-14-9-23(30)27(31-13-14)15(2)24-22(32-27)12-19-17-11-21(29)20-10-16(28)5-7-25(20,3)18(17)6-8-26(19,24)4/h14-24,28-30H,5-13H2,1-4H3/t14-,15-,16-,17+,18-,19-,20+,21-,22-,23-,24-,25+,26-,27-/m0/s1 |
| InChIKey | GDFVLFBHNREYBP-WHFCIYBYSA-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 | 1cQjLsxXS97 |
|---|---|
| Name | PANICULOGENIN=(25S)-3-BETA,6-ALPHA,23-ALPHA-TRIHYDROXY-5-ALPHA-SPIROSTAN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O5 |
| InChI | InChI=1S/C27H44O5/c1-14-9-23(30)27(31-13-14)15(2)24-22(32-27)12-19-17-11-21(29)20-10-16(28)5-7-25(20,3)18(17)6-8-26(19,24)4/h14-24,28-30H,5-13H2,1-4H3/t14-,15-,16-,17+,18-,19-,20+,21-,22-,23-,24-,25+,26-,27-/m0/s1 |
| InChIKey | GDFVLFBHNREYBP-WHFCIYBYSA-N |
| Literature Reference Author | A.K.CHAKRAVARTY,S.C.PAKRASHI,J.UZAWA |
| Literature Reference Citation | CAN.J.CHEM.,59,1328(1981) |
| Literature Reference DOI | 10.1139/v81-195 |
| Molecular Weight | 448.643 g/mol |
| Solvent | CD3OD |
| Source File Reference | UNIW17049 |