| SpectraBase Compound ID | 6QnqLRpRcCt |
|---|---|
| InChI | InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,17-25,29H,9-16H2,1-6H3/b8-7+/t18-,19+,20+,21-,22+,23-,24-,25+,27+,28+/m0/s1 |
| InChIKey | UGNNWZZLNDGUAB-ZRZISDMBSA-N |
| Mol Weight | 414.7 g/mol |
| Molecular Formula | C28H46O2 |
| Exact Mass | 414.349781 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4itMB5GCKr |
|---|---|
| Name | (22E,24R)-3.alpha.-Hydroxy-24-methyl-5.alpha.-cholest-22-en-6-one |
| Alternate Name(s) | (3alpha,5alpha,22E)-3-hydroxyergost-22-en-6-one (3R,5S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one (3R,5S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O2 |
| InChI | InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,17-25,29H,9-16H2,1-6H3/b8-7+/t18-,19+,20+,21-,22+,23-,24-,25+,27+,28+/m0/s1 |
| InChIKey | UGNNWZZLNDGUAB-ZRZISDMBSA-N |
| Molecular Weight | 414.674 g/mol |
| SMILES | O[C@@]1(CC[C@@]2([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])[H])[H])([H])CC([C@]2(C1)[H])=O)[H])C)[H] |
| SPLASH | splash10-02mr-0098700000-4c796b0d9c384d1c75f8 |
| Source of Spectrum | F-52-2002-6 |
| Wiley ID | 795163 |