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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H60O4
Molecular Weight 604.902
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRADIOL DIUNDECYLENATE

SMILES

[H][C@@]12CC[C@H](OC(=O)CCCCCCCCC=C)[C@@]1(C)CC[C@]3([H])C4=CC=C(OC(=O)CCCCCCCCC=C)C=C4CC[C@@]23[H]

InChI

InChIKey=LVJFPCSLAMHGAU-OBRFQGJBSA-N
InChI=1S/C40H60O4/c1-4-6-8-10-12-14-16-18-20-38(41)43-32-23-25-33-31(30-32)22-24-35-34(33)28-29-40(3)36(35)26-27-37(40)44-39(42)21-19-17-15-13-11-9-7-5-2/h4-5,23,25,30,34-37H,1-2,6-22,24,26-29H2,3H3/t34-,35-,36+,37+,40+/m1/s1

HIDE SMILES / InChI

Molecular Formula C40H60O4
Molecular Weight 604.902
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 18:56:42 GMT 2023
Edited
by admin
on Sat Dec 16 18:56:42 GMT 2023
Record UNII
68XRU2GP58
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESTRADIOL DIUNDECYLENATE
Common Name English
ETROSTERON
Common Name English
[(8R,9S,13S,14S,17S)-13-methyl-3-undec-10-enoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undec-10-enoate
Systematic Name English
Estra-1,3,5(10)-triene-3,17-diol (17β)-, di-10-undecenoate
Common Name English
Code System Code Type Description
FDA UNII
68XRU2GP58
Created by admin on Sat Dec 16 18:56:43 GMT 2023 , Edited by admin on Sat Dec 16 18:56:43 GMT 2023
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WIKIPEDIA
Estradiol diundecylenate
Created by admin on Sat Dec 16 18:56:43 GMT 2023 , Edited by admin on Sat Dec 16 18:56:43 GMT 2023
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EPA CompTox
DTXSID70996325
Created by admin on Sat Dec 16 18:56:43 GMT 2023 , Edited by admin on Sat Dec 16 18:56:43 GMT 2023
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CAS
74798-17-7
Created by admin on Sat Dec 16 18:56:43 GMT 2023 , Edited by admin on Sat Dec 16 18:56:43 GMT 2023
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PUBCHEM
126479
Created by admin on Sat Dec 16 18:56:43 GMT 2023 , Edited by admin on Sat Dec 16 18:56:43 GMT 2023
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