| SpectraBase Spectrum ID |
rwEVdSDZD2 |
| Name |
3.beta.-Formyloxy-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 |
C21H27ClO3 |
| InChI |
InChI=1S/C21H27ClO3/c1-20-7-5-15(25-12-23)10-14(20)3-4-16-17(20)6-8-21(2)18(16)9-13(11-22)19(21)24/h3,11-12,15-18H,4-10H2,1-2H3/b13-11+/t15-,16+,17-,18-,20-,21-/m0/s1 |
| InChIKey |
HFKRQQDIRUMDDL-ZGNVVDKHSA-N |
| Molecular Weight |
362.897 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC=O)(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 formate |
| Wiley ID |
1527595 |
