| SpectraBase Spectrum ID |
9PCeCi84Q39 |
| Name |
3.beta.-Benzoyloxy-16(E)-chloromethyleneandrost-5-ene-17-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H31ClO3 |
| InChI |
InChI=1S/C27H31ClO3/c1-26-12-10-20(31-25(30)17-6-4-3-5-7-17)15-19(26)8-9-21-22(26)11-13-27(2)23(21)14-18(16-28)24(27)29/h3-8,16,20-23H,9-15H2,1-2H3/b18-16+/t20-,21+,22-,23-,26-,27-/m0/s1 |
| InChIKey |
ZJELVAFTYNKLIN-CAFZTOKDSA-N |
| Molecular Weight |
438.995 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)c2ccccc2)(C4)[H])C)[H])(C\C(C1=O)=C/Cl)[H])C |
| SPLASH |
splash10-014i-0009000000-b18a6a9d0549c68bc596 |
| Source of Spectrum |
Y1-38-281-7 |
| Synonyms |
(3beta)-16-(chloromethylene)-17-oxoandrost-5-en-3-yl benzoate |
| Wiley ID |
1527593 |
