| SpectraBase Compound ID | Hq0WdjbO1A6 |
|---|---|
| InChI | InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27?/m0/s1 |
| InChIKey | NKDFYOWSKOHCCO-UWZSVDBBSA-N |
| Mol Weight | 480.6 g/mol |
| Molecular Formula | C27H44O7 |
| Exact Mass | 480.308704 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Azakov3W0IK |
|---|---|
| Name | (2beta,3beta,5beta)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one |
| Alternate Name(s) | 20-Hydroxyecdysone Cholest-7-en-6-one, 2,3,14,20,22,25-hexahydroxy-, (2-beta,3-beta,5-beta,22R)- Commisterone Crustecdyson Crustecdysone Ecdysteron Ecdysterone Isoinokosterone Polypodine A THE-7 Viticosterone (2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one (2S,3R,5R,9R,10R,13R,17S)-10,13-dimethyl-17-[(2R,3R)-6-methyl-2,3,6-tris(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 AI3-44727 BRN 1917578 NSC 629484 |
| CAS Registry Number | 5289-74-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O7 |
| InChI | InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27?/m0/s1 |
| InChIKey | NKDFYOWSKOHCCO-UWZSVDBBSA-N |
| Molecular Weight | 480.642 g/mol |
| SMILES | OC(CC[C@]([C@@]([C@@]1([C@]2(CC[C@]3(C(C2(CC1)O)=CC([C@@]1(C[C@]([C@](C[C@]31C)(O)[H])(O)[H])[H])=O)[H])C)[H])(O)C)(O)[H])(C)C |
| SPLASH | splash10-004j-0009200000-e504e665ab3de66729b0 |
| Source of Spectrum | T-66-242-0 |
| Wiley ID | 1395228 |