U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H28O4
Molecular Weight 332.4339
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HORMINONE

SMILES

[H][C@@]12C[C@@H](O)C3=C(C(=O)C(O)=C(C(C)C)C3=O)[C@@]1(C)CCCC2(C)C

InChI

InChIKey=YVSUCPNWDPTGKM-JGRMJRGVSA-N
InChI=1S/C20H28O4/c1-10(2)13-16(22)14-11(21)9-12-19(3,4)7-6-8-20(12,5)15(14)18(24)17(13)23/h10-12,21,23H,6-9H2,1-5H3/t11-,12+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H28O4
Molecular Weight 332.4339
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:29:42 GMT 2023
Edited
by admin
on Sat Dec 16 09:29:42 GMT 2023
Record UNII
OR166S9YJA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HORMINONE
Common Name English
NSC-294577
Code English
2-(1-METHYLETHYL)-, (4BS-(4B.ALPHA.,8A.BETA.,10.BETA.))-
Systematic Name English
PODOCARPA-8,12-DIENE-11,14-DIONE, 7.ALPHA.,12-DIHYDROXY-13-ISOPROPYL-
Systematic Name English
NSC-122418
Code English
1,4-PHENANTHRENEDIONE, 4B,5,6,7,8,8A,9,10-OCTAHYDRO-3,10-DIHYDROXY-4B,8,8-TRIMETHYL-2-(1-METHYLETHYL)-, (4BS,8AS,10R)-
Systematic Name English
1,4-PHENANTHRENEDIONE, 4B,5,6,7,8,8A,9,10-OCTAHYDRO-3,10-DIHYDROXY-4B,8,8-TRIMETHYL-
Systematic Name English
Code System Code Type Description
NSC
294577
Created by admin on Sat Dec 16 09:29:42 GMT 2023 , Edited by admin on Sat Dec 16 09:29:42 GMT 2023
PRIMARY
NSC
122418
Created by admin on Sat Dec 16 09:29:42 GMT 2023 , Edited by admin on Sat Dec 16 09:29:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID401318668
Created by admin on Sat Dec 16 09:29:42 GMT 2023 , Edited by admin on Sat Dec 16 09:29:42 GMT 2023
PRIMARY
CAS
11021-28-6
Created by admin on Sat Dec 16 09:29:42 GMT 2023 , Edited by admin on Sat Dec 16 09:29:42 GMT 2023
SUPERSEDED
CAS
21887-01-4
Created by admin on Sat Dec 16 09:29:42 GMT 2023 , Edited by admin on Sat Dec 16 09:29:42 GMT 2023
PRIMARY
SMS_ID
300000033382
Created by admin on Sat Dec 16 09:29:42 GMT 2023 , Edited by admin on Sat Dec 16 09:29:42 GMT 2023
PRIMARY
FDA UNII
OR166S9YJA
Created by admin on Sat Dec 16 09:29:42 GMT 2023 , Edited by admin on Sat Dec 16 09:29:42 GMT 2023
PRIMARY