Pregn-4-ene-3,20-dione, 12-(chloromethyl)-12-hydroxy-, (12β)-
CAS Registry Number®
7255-84-7
CAS Name
Pregn-4-ene-3,20-dione, 12-(chloromethyl)-12-hydroxy-, (12β)-Molecular Formula
C22H31ClO3Molecular Mass
378.93Cite this Page
Pregn-4-ene-3,20-dione, 12-(chloromethyl)-12-hydroxy-, (12β)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=7255-84-7 (retrieved ) (CAS RN: 7255-84-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C22H31ClO3/c1-13(24)17-6-7-18-16-5-4-14-10-15(25)8-9-20(14,2)19(16)11-22(26,12-23)21(17,18)3/h10,16-19,26H,4-9,11-12H2,1-3H3/t16-,17+,18-,19-,20-,21+,22-/m0/s1
InChIKey
InChIKey=LSUMZADQUYYJTQ-VUIPWDCGSA-N
SMILES
C[C@@]12[C@]([C@]3([C@](C[C@@]1(CCl)O)([C@]4(C)C(CC3)=CC(=O)CC4)[H])[H])(CC[C@@H]2C(C)=O)[H]
Canonical SMILES
O=C1C=C2CCC3C4CCC(C(=O)C)C4(C)C(O)(CCl)CC3C2(C)CC1
Other Names for this Substance
- Pregn-4-ene-3,20-dione, 12-(chloromethyl)-12-hydroxy-, (12β)-
- Pregn-4-ene-3,20-dione, 12α-(chloromethyl)-12-hydroxy-
- NSC 74228