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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H32O4
Molecular Weight 384.5085
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRADIOL 17-.BETA.-BUTYRYLACETATE

SMILES

[H][C@@]12CC[C@H](OC(=O)CC(=O)CCC)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(O)C=C4

InChI

InChIKey=LLWMXKOTHFASEO-NTYLBUJVSA-N
InChI=1S/C24H32O4/c1-3-4-16(25)14-23(27)28-22-10-9-21-20-7-5-15-13-17(26)6-8-18(15)19(20)11-12-24(21,22)2/h6,8,13,19-22,26H,3-5,7,9-12,14H2,1-2H3/t19-,20-,21+,22+,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H32O4
Molecular Weight 384.5085
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:01:24 UTC 2023
Edited
by admin
on Sat Dec 16 08:01:24 UTC 2023
Record UNII
6ADI485E6C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESTRADIOL 17-.BETA.-BUTYRYLACETATE
Common Name English
ESTRADIOL, MONO(3-OXOHEXANOATE)
Common Name English
Estradiol butyrylacetate [WHO-DD]
Common Name English
ESTRADIOL BUTYRYLACETATE
WHO-DD  
Common Name English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)-, MONO(3-OXOHEXANOATE)
Systematic Name English
Code System Code Type Description
EVMPD
SUB01964MIG
Created by admin on Sat Dec 16 08:01:24 UTC 2023 , Edited by admin on Sat Dec 16 08:01:24 UTC 2023
PRIMARY
SMS_ID
100000087273
Created by admin on Sat Dec 16 08:01:24 UTC 2023 , Edited by admin on Sat Dec 16 08:01:24 UTC 2023
PRIMARY
CAS
60883-80-9
Created by admin on Sat Dec 16 08:01:24 UTC 2023 , Edited by admin on Sat Dec 16 08:01:24 UTC 2023
PRIMARY
EPA CompTox
DTXSID301046408
Created by admin on Sat Dec 16 08:01:24 UTC 2023 , Edited by admin on Sat Dec 16 08:01:24 UTC 2023
PRIMARY
CAS
26545-90-4
Created by admin on Sat Dec 16 08:01:24 UTC 2023 , Edited by admin on Sat Dec 16 08:01:24 UTC 2023
NON-SPECIFIC SUBSTITUTION
FDA UNII
6ADI485E6C
Created by admin on Sat Dec 16 08:01:24 UTC 2023 , Edited by admin on Sat Dec 16 08:01:24 UTC 2023
PRIMARY
WIKIPEDIA
Estradiol butyrylacetate
Created by admin on Sat Dec 16 08:01:24 UTC 2023 , Edited by admin on Sat Dec 16 08:01:24 UTC 2023
PRIMARY
ECHA (EC/EINECS)
247-791-0
Created by admin on Sat Dec 16 08:01:24 UTC 2023 , Edited by admin on Sat Dec 16 08:01:24 UTC 2023
PRIMARY
PUBCHEM
91667672
Created by admin on Sat Dec 16 08:01:24 UTC 2023 , Edited by admin on Sat Dec 16 08:01:24 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY