| SpectraBase Compound ID | 5kf4rkbtLDe |
|---|---|
| InChI | InChI=1S/C37H62O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(39)40-30-23-25-36(3)29(27-30)19-20-31-33-22-21-32(28(2)38)37(33,4)26-24-34(31)36/h19,30-34H,5-18,20-27H2,1-4H3/t30?,31-,32+,33-,34-,36-,37+/m0/s1 |
| InChIKey | FOZPTVPLEKIYFC-QXWDFZFXSA-N |
| Mol Weight | 554.9 g/mol |
| Molecular Formula | C37H62O3 |
| Exact Mass | 554.469896 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7skF6atU4ca |
|---|---|
| Name | Pregnenolone palmitate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H62O3 |
| InChI | InChI=1S/C37H62O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(39)40-30-23-25-36(3)29(27-30)19-20-31-33-22-21-32(28(2)38)37(33,4)26-24-34(31)36/h19,30-34H,5-18,20-27H2,1-4H3/t30?,31-,32+,33-,34-,36-,37+/m0/s1 |
| InChIKey | FOZPTVPLEKIYFC-QXWDFZFXSA-N |
| Molecular Weight | 554.900 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CCC(OC(=O)CCCCCCCCCCCCCCC)C4)C)[H])(CC[C@@]1(C(=O)C)[H])[H])C |
| SPLASH | splash10-0007-9340000000-e5c35c41bfa46968949b |
| Source of Spectrum | KO-16-171-1 |
| Synonyms | Hexadecanoic acid [(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate [(8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate |
| Wiley ID | 1406264 |