| SpectraBase Compound ID | 7nDblqzPxz0 |
|---|---|
| InChI | InChI=1S/C27H42O3/c1-16(2)12-19(29)13-17(3)21-6-7-22-20-15-25(30)24-14-18(28)8-10-27(24,5)23(20)9-11-26(21,22)4/h9,13,16,18,20-22,24-25,28,30H,6-8,10-12,14-15H2,1-5H3/b17-13+ |
| InChIKey | VZSIZUFIBLOATL-GHRIWEEISA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C27H42O3 |
| Exact Mass | 414.313395 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EZcJK9K0IYx |
|---|---|
| Name | Cholesta-9(11),20(22)-dien-23-one, 3,6-dihydroxy-, (3.beta.,5.alpha.,6.alpha.)- |
| CAS Registry Number | 37717-05-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O3 |
| InChI | InChI=1S/C27H42O3/c1-16(2)12-19(29)13-17(3)21-6-7-22-20-15-25(30)24-14-18(28)8-10-27(24,5)23(20)9-11-26(21,22)4/h9,13,16,18,20-22,24-25,28,30H,6-8,10-12,14-15H2,1-5H3/b17-13+ |
| InChIKey | VZSIZUFIBLOATL-GHRIWEEISA-N |
| Molecular Weight | 414.630 g/mol |
| SMILES | OC1C2CC(CCC2(C2=CCC3(C(CCC3C2C1)\C(=C\C(CC(C)C)=O)C)C)C)O |
| SPLASH | splash10-05mx-9731000000-a19dcbdbe452dbca685d |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | (20E)-3,6-Dihydroxycholesta-9(11),20(22)-dien-23-one (E)-2-(3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methyl-2-hepten-4-one (E)-2-(3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methyl-hept-2-en-4-one (E)-2-[10,13-dimethyl-3,6-bis(oxidanyl)-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-hept-2-en-4-one |
| Wiley ID | 1375705 |