| SpectraBase Compound ID | Ffl2mBTwDoG |
|---|---|
| InChI | InChI=1S/C27H47NO3/c1-15-5-6-21(28-14-15)16(2)25-23(31)13-20-24-19(8-10-27(20,25)4)26(3)9-7-18(29)11-17(26)12-22(24)30/h15-25,28-31H,5-14H2,1-4H3/t15-,16?,17?,18?,19?,20?,21+,22?,23?,24?,25?,26?,27?/m1/s1 |
| InChIKey | ULNBLBXXTBZZST-QCJUQTQVSA-N |
| Mol Weight | 433.7 g/mol |
| Molecular Formula | C27H47NO3 |
| Exact Mass | 433.355594 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6sMp9LHApKx |
|---|---|
| Name | 20-(5-Methyl-2-piperidinyl)pregnane-3,7,16-triol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H47NO3 |
| InChI | InChI=1S/C27H47NO3/c1-15-5-6-21(28-14-15)16(2)25-23(31)13-20-24-19(8-10-27(20,25)4)26(3)9-7-18(29)11-17(26)12-22(24)30/h15-25,28-31H,5-14H2,1-4H3/t15-,16?,17?,18?,19?,20?,21+,22?,23?,24?,25?,26?,27?/m1/s1 |
| InChIKey | ULNBLBXXTBZZST-QCJUQTQVSA-N |
| Molecular Weight | 433.677 g/mol |
| SMILES | N1C[C@@](CC[C@]1(C(C1C(CC2C3C(CC4C(C3CCC12C)(CCC(C4)O)C)O)O)C)[H])(C)[H] |
| SPLASH | splash10-0002-9100000000-47e59cd3820f52136dad |
| Source of Spectrum | NP-15-778-0 |
| Synonyms | 7.eta.-Hydoxy-tetrahydrosolasodine 10,13-dimethyl-17-[1-(5-methyl-2-piperidinyl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,16-triol 10,13-dimethyl-17-[1-(5-methylpiperidin-2-yl)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,16-triol |
| Wiley ID | 1112230 |