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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22O2
Molecular Weight 270.3661
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-DIHYDROEQUILIN

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]3([H])C2=CCC4=C3C=CC(O)=C4

InChI

InChIKey=NLLMJANWPUQQTA-UBDQQSCGSA-N
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H22O2
Molecular Weight 270.3661
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:05:06 GMT 2023
Edited
by admin
on Sat Dec 16 09:05:06 GMT 2023
Record UNII
WXG88DST4R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-DIHYDROEQUILIN
Common Name English
NSC-12170
Code English
DIHYDROEQUILIN, 17.BETA.
Common Name English
ESTRA-1,3,5(10),7-TETRAENE-3,17.BETA.-DIOL
Systematic Name English
ESTRA-1,3,5(10),7-TETRAENE-3,17-DIOL, (17.BETA.)-
Systematic Name English
17.BETA.-DIHYDROEQUILIN
Common Name English
DIHYDROEQUILIN [MI]
Common Name English
Code System Code Type Description
WIKIPEDIA
17β-Dihydroequilin
Created by admin on Sat Dec 16 09:05:06 GMT 2023 , Edited by admin on Sat Dec 16 09:05:06 GMT 2023
PRIMARY
ECHA (EC/EINECS)
222-633-3
Created by admin on Sat Dec 16 09:05:06 GMT 2023 , Edited by admin on Sat Dec 16 09:05:06 GMT 2023
PRIMARY
NSC
12170
Created by admin on Sat Dec 16 09:05:06 GMT 2023 , Edited by admin on Sat Dec 16 09:05:06 GMT 2023
PRIMARY
CAS
3563-27-7
Created by admin on Sat Dec 16 09:05:06 GMT 2023 , Edited by admin on Sat Dec 16 09:05:06 GMT 2023
PRIMARY
PUBCHEM
11954027
Created by admin on Sat Dec 16 09:05:06 GMT 2023 , Edited by admin on Sat Dec 16 09:05:06 GMT 2023
PRIMARY
FDA UNII
WXG88DST4R
Created by admin on Sat Dec 16 09:05:06 GMT 2023 , Edited by admin on Sat Dec 16 09:05:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID40871892
Created by admin on Sat Dec 16 09:05:06 GMT 2023 , Edited by admin on Sat Dec 16 09:05:06 GMT 2023
PRIMARY
MERCK INDEX
m4460
Created by admin on Sat Dec 16 09:05:06 GMT 2023 , Edited by admin on Sat Dec 16 09:05:06 GMT 2023
PRIMARY Merck Index