| SpectraBase Compound ID | 1Pexh1XhHm9 |
|---|---|
| InChI | InChI=1S/C28H48O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h18-25,29-31H,1,7-16H2,2-6H3 |
| InChIKey | HLKKOQDZYCQRGI-UHFFFAOYSA-N |
| Mol Weight | 432.7 g/mol |
| Molecular Formula | C28H48O3 |
| Exact Mass | 432.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F1K9YClcqd |
|---|---|
| Name | Ergost-25-ene-3,5,6-triol, (3.beta.,5.alpha.,6.beta.)- |
| Alternate Name(s) | Ergost-25(27)-ene-3,5,6-triol 10,13-dimethyl-17-(1,4,5-trimethylhex-5-enyl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol 17-(5,6-dimethylhept-6-en-2-yl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol |
| CAS Registry Number | 56143-28-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48O3 |
| InChI | InChI=1S/C28H48O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h18-25,29-31H,1,7-16H2,2-6H3 |
| InChIKey | HLKKOQDZYCQRGI-UHFFFAOYSA-N |
| Molecular Weight | 432.689 g/mol |
| SMILES | OC12CC(CCC2(C)C2C(C3C(CC2)(C)C(C(CCC(C(C)=C)C)C)CC3)CC1O)O |
| SPLASH | splash10-0apl-9741000000-2e368b3e69a3a943d381 |
| Source of Spectrum | SD-1981-0-0 |
| Wiley ID | 1382498 |