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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H29NO2
Molecular Weight 327.4605
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17-METHYL-ANDROSTA-2,4-DIENO(2,3-D)ISOXAZOL-17-OL, (17.BETA.)-

SMILES

[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CCC4=CC5=C(C[C@]34C)C=NO5

InChI

InChIKey=NYIRPOUXYQWAQW-OBQKJFGGSA-N
InChI=1S/C21H29NO2/c1-19-11-13-12-22-24-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)23/h10,12,15-17,23H,4-9,11H2,1-3H3/t15-,16+,17+,19+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H29NO2
Molecular Weight 327.4605
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:11:24 GMT 2023
Edited
by admin
on Sat Dec 16 05:11:24 GMT 2023
Record UNII
N3747FPO44
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17-METHYL-ANDROSTA-2,4-DIENO(2,3-D)ISOXAZOL-17-OL, (17.BETA.)-
Common Name English
ANDROSTA-2,4-DIENO(2,3-D)ISOXAZOL-17-OL, 17-METHYL-, (17.BETA.)-
Common Name English
1H-CYCLOPENTA(7,8)PHENANTHRO(3,2-D)ISOXAZOL-1.BETA.-OL, 2,3,3A.ALPHA.,3B.BETA.,4,5,10,10A,10B.ALPHA.,11,12,12A-DODECAHYDRO-1,10A.BETA.,12A.BETA.-TRIMETHYL-
Common Name English
1H-CYCLOPENTA(7,8)PHENANTHRO(3,2-D)ISOXAZOL-1-OL, 2,3,3A,3B,4,5,10,10A,10B,11,12,12A-DODECAHYDRO-1,10A,12A-TRIMETHYL-
Common Name English
NSC-43192
Code English
ANDROSTA-2,4-DIENO(2,3-D)ISOXAZOL-17.BETA.-OL, 17-METHYL-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID60929445
Created by admin on Sat Dec 16 05:11:24 GMT 2023 , Edited by admin on Sat Dec 16 05:11:24 GMT 2023
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NSC
43192
Created by admin on Sat Dec 16 05:11:24 GMT 2023 , Edited by admin on Sat Dec 16 05:11:24 GMT 2023
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FDA UNII
N3747FPO44
Created by admin on Sat Dec 16 05:11:24 GMT 2023 , Edited by admin on Sat Dec 16 05:11:24 GMT 2023
PRIMARY
PUBCHEM
11954115
Created by admin on Sat Dec 16 05:11:24 GMT 2023 , Edited by admin on Sat Dec 16 05:11:24 GMT 2023
PRIMARY
CAS
13648-01-6
Created by admin on Sat Dec 16 05:11:24 GMT 2023 , Edited by admin on Sat Dec 16 05:11:24 GMT 2023
PRIMARY