| SpectraBase Spectrum ID |
CfdwwRj4uxh |
| Name |
Pregna-5,17(20)-diene-3,16-diol, 21-chloro-20-methyl-, 3-acetate, (3.beta.,16.alpha.,17Z)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.227472684 u |
| Formula |
C24H35ClO3 |
| InChI |
InChI=1S/C24H35ClO3/c1-14(13-25)22-21(27)12-20-18-6-5-16-11-17(28-15(2)26)7-9-23(16,3)19(18)8-10-24(20,22)4/h5,17-21,27H,6-13H2,1-4H3/b22-14+/t17-,18+,19-,20-,21+,23-,24-/m0/s1 |
| InChIKey |
DQXXLKQAQBOGRN-DKGQBHTJSA-N |
| Molecular Weight |
406.994 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(C[C@](\C1=C\(CCl)C)(O)[H])[H])C |
