| SpectraBase Compound ID | 7yvycO5R8z4 |
|---|---|
| InChI | InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1 |
| InChIKey | UPEZCKBFRMILAV-JMZLNJERSA-N |
| Mol Weight | 464.6 g/mol |
| Molecular Formula | C27H44O6 |
| Exact Mass | 464.313789 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7K7js06Ao6z |
|---|---|
| Name | (2beta,3beta,5beta,22R)-2,3,14,22,25-pentahydroxycholest-7-en-6-one |
| Alternate Name(s) | (2S,3R,5R,9R,10R,13R,14S,17R)-10,13-dimethyl-17-[(2S,3R)-6-methyl-3,6-bis(oxidanyl)heptan-2-yl]-2,3,14-tris(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one (2S,3R,5R,9R,10R,13R,14S,17R)-17-[(1S,2R)-2,5-dihydroxy-1,5-dimethyl-hexyl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one (2S,3R,5R,9R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one Cholest-7-en-6-one, 2,3,14,22,25-pentahydroxy-, (2-beta,3-beta,5-beta,22R)- Ecdysone AI3-44726 BRN 2422986 CCRIS 6931 EINECS 222-760-4 |
| CAS Registry Number | 3604-87-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O6 |
| InChI | InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1 |
| InChIKey | UPEZCKBFRMILAV-JMZLNJERSA-N |
| Molecular Weight | 464.643 g/mol |
| SMILES | OC(CC[C@]([C@]([C@@]1([C@]2(CC[C@]3(C([C@@]2(CC1)O)=CC([C@@]1(C[C@]([C@](C[C@]31C)(O)[H])(O)[H])[H])=O)[H])C)[H])(C)[H])(O)[H])(C)C |
| SPLASH | splash10-0ugj-0039700000-a20a4068ca665cf45c9d |
| Source of Spectrum | X4-16-374-0 |
| Wiley ID | 1585360 |