| SpectraBase Compound ID | In2VsV2aq2o |
|---|---|
| InChI | InChI=1S/C29H50O5/c1-18(17-34-20(3)30)7-6-8-19(2)23-9-10-24-22-15-26(32)29(33)16-21(31)11-14-28(29,5)25(22)12-13-27(23,24)4/h18-19,21-26,31-33H,6-17H2,1-5H3/t18?,19-,21+,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1 |
| InChIKey | DZFGXGROBZHZDP-ZJQONJKLSA-N |
| Mol Weight | 478.7 g/mol |
| Molecular Formula | C29H50O5 |
| Exact Mass | 478.365825 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BbhJR2yD14l |
|---|---|
| Name | Cholestane-3.beta.,5.alpha.,6.beta.,26-tetrol - 26-Acetate |
| Alternate Name(s) | (3beta,5alpha,6beta)-3,5,6-trihydroxycholestan-27-yl acetate Acetic acid[(6R)-2-methyl-6-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]heptyl]ester [(6R)-2-methyl-6-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]heptyl]acetate [(6R)-6-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,5,6-tris(oxidanyl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl]ethanoate [(6R)-2-methyl-6-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]heptyl] acetate [(6R)-6-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,5,6-tris(oxidanyl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-heptyl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H50O5 |
| InChI | InChI=1S/C29H50O5/c1-18(17-34-20(3)30)7-6-8-19(2)23-9-10-24-22-15-26(32)29(33)16-21(31)11-14-28(29,5)25(22)12-13-27(23,24)4/h18-19,21-26,31-33H,6-17H2,1-5H3/t18?,19-,21+,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1 |
| InChIKey | DZFGXGROBZHZDP-ZJQONJKLSA-N |
| Molecular Weight | 478.714 g/mol |
| SMILES | O[C@@]1(C[C@@]2([C@@]([C@@]3([C@@]1(C[C@](CC3)(O)[H])O)C)(CC[C@@]1([C@](CC[C@@]21[H])([C@@](CCCC(COC(=O)C)C)(C)[H])[H])C)[H])[H])[H] |
| SPLASH | splash10-0006-0000900000-91107c2f19111ab4ddee |
| Source of Spectrum | G4-59-150-3 |
| Wiley ID | 1606170 |