| SpectraBase Compound ID | HORQx3fuaad |
|---|---|
| InChI | InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)23-11-12-24-22-10-9-20-15-21(29)13-14-27(20,5)25(22)16-26(30)28(23,24)6/h15,17-19,22-26,30H,7-14,16H2,1-6H3 |
| InChIKey | IZEARVDHWBTRLQ-UHFFFAOYSA-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 | Jqq7a0bLZX9 |
|---|---|
| Name | Ergost-4-en-3-one, 12-hydroxy-, (12.alpha.)- |
| CAS Registry Number | 56052-06-3 |
| 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)23-11-12-24-22-10-9-20-15-21(29)13-14-27(20,5)25(22)16-26(30)28(23,24)6/h15,17-19,22-26,30H,7-14,16H2,1-6H3 |
| InChIKey | IZEARVDHWBTRLQ-UHFFFAOYSA-N |
| Molecular Weight | 414.674 g/mol |
| SMILES | OC1C2(C)C(C3C(C1)C1(C)C(CC3)=CC(CC1)=O)CCC2C(CCC(C(C)C)C)C |
| SPLASH | splash10-0006-9842000000-b58d79223609a9bafa05 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 12-Hydroxyergost-4-en-3-one 12-hydroxy-10,13-dimethyl-17-(1,4,5-trimethylhexyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-12-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 17-(5,6-dimethylheptan-2-yl)-12-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| Wiley ID | 1375733 |