| SpectraBase Compound ID | 4dvQEAJG9ah |
|---|---|
| InChI | InChI=1S/C27H45NO2/c1-17(16-28)6-5-7-18(2)25-24(30)15-23-21-9-8-19-14-20(29)10-12-26(19,3)22(21)11-13-27(23,25)4/h8,17-18,20-23,25,29H,5-7,9-16,28H2,1-4H3 |
| InChIKey | ISEQHFFUPPBHLN-UHFFFAOYSA-N |
| Mol Weight | 415.7 g/mol |
| Molecular Formula | C27H45NO2 |
| Exact Mass | 415.34503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AzTMl5vowbA |
|---|---|
| Name | 26-Amino-3-hydroxycholest-5-en-16-one |
| Alternate Name(s) | 16-Keto-tetrahydrosolasodine 17-(7-amino-6-methylheptan-2-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one 17-(7-azanyl-6-methyl-heptan-2-yl)-10,13-dimethyl-3-oxidanyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H45NO2 |
| InChI | InChI=1S/C27H45NO2/c1-17(16-28)6-5-7-18(2)25-24(30)15-23-21-9-8-19-14-20(29)10-12-26(19,3)22(21)11-13-27(23,25)4/h8,17-18,20-23,25,29H,5-7,9-16,28H2,1-4H3 |
| InChIKey | ISEQHFFUPPBHLN-UHFFFAOYSA-N |
| Molecular Weight | 415.662 g/mol |
| SMILES | NCC(CCCC(C1C(CC2C3CC=C4C(CCC(O)C4)(C)C3CCC12C)=O)C)C |
| SPLASH | splash10-014i-3900000000-554227e80035f9d82d37 |
| Source of Spectrum | NP-14-7817-0 |
| Wiley ID | 1111990 |