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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H31NO
Molecular Weight 373.5304
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANDROSTA-5,16-DIENO(17,16-B)QUINOLIN-3-OL, (3.BETA.)-

SMILES

[H][C@@]12CC3=C(N=C4C=CC=CC4=C3)[C@@]1(C)CC[C@@]5([H])[C@@]2([H])CC=C6C[C@@H](O)CC[C@]56C

InChI

InChIKey=FBJRIAWDMVBAAE-RACKXPAOSA-N
InChI=1S/C26H31NO/c1-25-11-9-19(28)15-18(25)7-8-20-21(25)10-12-26(2)22(20)14-17-13-16-5-3-4-6-23(16)27-24(17)26/h3-7,13,19-22,28H,8-12,14-15H2,1-2H3/t19-,20+,21-,22-,25-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H31NO
Molecular Weight 373.5304
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 08:02:31 GMT 2023
Edited
by admin
on Sat Dec 16 08:02:31 GMT 2023
Record UNII
5K5643SZ86
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANDROSTA-5,16-DIENO(17,16-B)QUINOLIN-3-OL, (3.BETA.)-
Common Name English
ANDROST-5-ENO(17,16:2',3')QUINOLIN-3.BETA.-OL
Common Name English
NSC-63008
Code English
1H-NAPHTH(2',1':4,5)INDENO(1,2-B)QUINOLIN-2-OL, 2,3,4,4A,4B,5,6,6A,13,13A,13B,14-DODECAHYDRO-4A,6A-DIMETHYL-
Systematic Name English
16,17-(3',2'-QUINOLINO)ANDROST-5-EN-3.BETA.-OL
Common Name English
Code System Code Type Description
CAS
6218-10-6
Created by admin on Sat Dec 16 08:02:32 GMT 2023 , Edited by admin on Sat Dec 16 08:02:32 GMT 2023
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FDA UNII
5K5643SZ86
Created by admin on Sat Dec 16 08:02:32 GMT 2023 , Edited by admin on Sat Dec 16 08:02:32 GMT 2023
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EPA CompTox
DTXSID80289699
Created by admin on Sat Dec 16 08:02:32 GMT 2023 , Edited by admin on Sat Dec 16 08:02:32 GMT 2023
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PUBCHEM
247743
Created by admin on Sat Dec 16 08:02:32 GMT 2023 , Edited by admin on Sat Dec 16 08:02:32 GMT 2023
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NSC
63008
Created by admin on Sat Dec 16 08:02:32 GMT 2023 , Edited by admin on Sat Dec 16 08:02:32 GMT 2023
PRIMARY