| SpectraBase Spectrum ID |
Fp9Ps6pCxSx |
| Name |
Pregna-5,17(20)-diene-3,16-diol, 21-chloro-20-methyl-, 3-acetate, (3.beta.,16.alpha.,17Z)- |
| Alternate Name(s) |
(1S,2R,5S,10R,11S,13R,14Z,15S)-14-(1-chloropropan-2-ylidene)-13-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-yl acetate
(20R)-3.beta.-acetoxy-20-hydroxy-17-.alpha.-hydroxy-16-(1-chloromethylethylene)-5,10-choladiene |
| CAS Registry Number |
115320-72-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
O[C@]1(\C([C@@]2([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(C1)[H])C)=C/(CCl)C)[H] |
| SPLASH |
splash10-0006-9001000000-54ef40d06f04cf1557ed |
| Source of Spectrum |
J-53-3472-7 |
| Wiley ID |
1372267 |
