| SpectraBase Compound ID | 5hKs2LnyIet |
|---|---|
| InChI | InChI=1S/C28H46O3/c1-17(7-8-18(2)26(3,4)31)22-11-12-23-21-10-9-19-15-20(29)16-25(30)28(19,6)24(21)13-14-27(22,23)5/h9-10,17-18,20,22-25,29-31H,7-8,11-16H2,1-6H3/t17-,18+,20-,22-,23+,24+,25+,27-,28+/m1/s1 |
| InChIKey | RNYILCHKMKBIPK-JMESKJHTSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C28H46O3 |
| Exact Mass | 430.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CSN9qi2RkS6 |
|---|---|
| Name | 5,7-Ergostadiene-1.alpha.,3.beta.,25-triol |
| Alternate Name(s) | (1alpha,3beta)-ergosta-5,7-diene-1,3,25-triol (1S,3R,9S,10R,13R,14R,17R)-17-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol (1S,3R,9S,10R,13R,14R,17R)-17-[(2R,5S)-5,6-dimethyl-6-oxidanyl-heptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O3 |
| InChI | InChI=1S/C28H46O3/c1-17(7-8-18(2)26(3,4)31)22-11-12-23-21-10-9-19-15-20(29)16-25(30)28(19,6)24(21)13-14-27(22,23)5/h9-10,17-18,20,22-25,29-31H,7-8,11-16H2,1-6H3/t17-,18+,20-,22-,23+,24+,25+,27-,28+/m1/s1 |
| InChIKey | RNYILCHKMKBIPK-JMESKJHTSA-N |
| Molecular Weight | 430.673 g/mol |
| SMILES | O[C@]1(C[C@@]([C@@]2([C@@]3(C([C@]4([C@@]([C@@]([C@@](CC[C@@](C(O)(C)C)(C)[H])(C)[H])(CC4)[H])(CC3)C)[H])=CC=C2C1)[H])C)(O)[H])[H] |
| SPLASH | splash10-06rt-0911700000-dedbbed2b70b87cd4192 |
| Source of Spectrum | AJ-63-2237-21 |
| Wiley ID | 1381777 |