| SpectraBase Spectrum ID |
2tJblf5uKDh |
| Name |
2-Deoxy-.alpha.-ecdysone |
| Alternate Name(s) |
(3alpha,5alpha,10alpha,13alpha,14beta,17alpha,22S)-3,14,22,25-tetrahydroxycholest-7-en-6-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O5 |
| InChI |
InChI=1S/C27H44O5/c1-16(22(29)9-10-24(2,3)31)18-8-13-27(32)20-15-23(30)21-14-17(28)6-11-25(21,4)19(20)7-12-26(18,27)5/h15-19,21-22,28-29,31-32H,6-14H2,1-5H3/t16?,17-,18+,19?,21-,22+,25+,26+,27+/m1/s1 |
| InChIKey |
CRAPXAGGASWTPU-BZGFMDKPSA-N |
| Molecular Weight |
448.644 g/mol |
| SMILES |
OC(CC[C@@](C([C@]1([C@@]2(CCC3C([C@]2(CC1)O)=CC([C@]1(C[C@@](CC[C@@]31C)(O)[H])[H])=O)C)[H])C)(O)[H])(C)C |
| SPLASH |
splash10-001i-0095300000-c1c95c6303589eab8e00 |
| Source of Spectrum |
X4-16-374-0 |
| Wiley ID |
1585365 |
