| SpectraBase Compound ID | BGyoDjMnlcZ |
|---|---|
| InChI | InChI=1S/C23H36O5/c1-21-7-5-18-19(3-2-15-11-16(25)4-8-22(15,18)13-24)23(21,27)9-6-17(21)14-10-20(26)28-12-14/h14-19,24-25,27H,2-13H2,1H3 |
| InChIKey | UNDFMGBYAMOENS-UHFFFAOYSA-N |
| Mol Weight | 392.5 g/mol |
| Molecular Formula | C23H36O5 |
| Exact Mass | 392.256274 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | jmUvziUAMX |
|---|---|
| Name | 5.alpha.-Cardanolide, 3.beta.,14,19-trihydroxy- |
| CAS Registry Number | 24211-70-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H36O5 |
| InChI | InChI=1S/C23H36O5/c1-21-7-5-18-19(3-2-15-11-16(25)4-8-22(15,18)13-24)23(21,27)9-6-17(21)14-10-20(26)28-12-14/h14-19,24-25,27H,2-13H2,1H3 |
| InChIKey | UNDFMGBYAMOENS-UHFFFAOYSA-N |
| Molecular Weight | 392.536 g/mol |
| SMILES | OCC12C(CC(CC2)O)CCC2C1CCC1(C2(O)CCC1C1COC(C1)=O)C |
| SPLASH | splash10-01qa-6912000000-72d5bf4f17bef8d5b3a9 |
| Source of Spectrum | H-52-1951-11 |
| Synonyms | 3,14,19-Trihydroxycardanolide 4-(3,14-dihydroxy-13-methyl-10-methylol-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)tetrahydrofuran-2-one 4-[10-(hydroxymethyl)-13-methyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one 4-[3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxolanone 4-[3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one 4-[3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]tetrahydrofuran-2-one |
| Wiley ID | 1365909 |