| SpectraBase Compound ID | J7ndqRAc0Tg |
|---|---|
| InChI | InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-21-15-20(17-29)26(30)16-28(21,5)25(22)13-14-27(23,24)4/h17-19,21-25,29H,6-16H2,1-5H3/b20-17- |
| InChIKey | KSJHGRZGVZHOET-JZJYNLBNSA-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 | K7fIRzkEcA7 |
|---|---|
| Name | Cholestan-2-one, 2-hydroxymethylene- |
| Alternate Name(s) | 3-(Hydroxymethylene)cholestan-2-one (3Z)-3-(hydroxymethylidene)-10,13-dimethyl-17-(6-methylheptan-2-yl)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-one (3Z)-17-(1,5-dimethylhexyl)-3-(hydroxymethylene)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-one (3Z)-10,13-dimethyl-17-(6-methylheptan-2-yl)-3-(oxidanylmethylidene)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-one |
| Comments | Structure changed after expert review |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O2 |
| InChI | InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-21-15-20(17-29)26(30)16-28(21,5)25(22)13-14-27(23,24)4/h17-19,21-25,29H,6-16H2,1-5H3/b20-17- |
| InChIKey | KSJHGRZGVZHOET-JZJYNLBNSA-N |
| Molecular Weight | 414.674 g/mol |
| SMILES | O\C=C\1CC2CCC3C4C(C(C(CCCC(C)C)C)CC4)(C)CCC3C2(C)CC1=O |
| SPLASH | splash10-0bt9-9851200000-ba75304a206231fb4d76 |
| Wiley ID | 1475128 |