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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H33ClO
Molecular Weight 348.95
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pregn-5-en-20-one, 3β-chloro-16α-methyl-

SMILES

[H][C@@]12C[C@@H](C)[C@H](C(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC=C4C[C@@H](Cl)CC[C@]34C

InChI

InChIKey=NFYMGEGTTYAURK-RDTLVLTASA-N
InChI=1S/C22H33ClO/c1-13-11-19-17-6-5-15-12-16(23)7-9-21(15,3)18(17)8-10-22(19,4)20(13)14(2)24/h5,13,16-20H,6-12H2,1-4H3/t13-,16+,17-,18+,19+,20-,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H33ClO
Molecular Weight 348.95
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:06:21 GMT 2023
Edited
by admin
on Sat Dec 16 08:06:21 GMT 2023
Record UNII
RMD28G2VJW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pregn-5-en-20-one, 3β-chloro-16α-methyl-
Common Name English
1-[(3S,8S,9S,10R,13S,14S,16R,17S)-3-chloro-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Systematic Name English
Code System Code Type Description
CAS
96367-83-8
Created by admin on Sat Dec 16 08:06:21 GMT 2023 , Edited by admin on Sat Dec 16 08:06:21 GMT 2023
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PUBCHEM
24843168
Created by admin on Sat Dec 16 08:06:21 GMT 2023 , Edited by admin on Sat Dec 16 08:06:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID70242213
Created by admin on Sat Dec 16 08:06:21 GMT 2023 , Edited by admin on Sat Dec 16 08:06:21 GMT 2023
PRIMARY
FDA UNII
RMD28G2VJW
Created by admin on Sat Dec 16 08:06:21 GMT 2023 , Edited by admin on Sat Dec 16 08:06:21 GMT 2023
PRIMARY