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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H47FO2
Molecular Weight 458.6914
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of HEP-187

SMILES

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)[C@@H](C)\C=C\CCC(F)(CC)CC

InChI

InChIKey=WLYLIHCUNZQZMM-NODIOXECSA-N
InChI=1S/C30H47FO2/c1-6-30(31,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(32)20-28(33)22(24)4/h8,11,13-14,21,25-28,32-33H,4,6-7,9-10,12,15-20H2,1-3,5H3/b11-8+,23-13+,24-14-/t21-,25+,26+,27-,28-,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H47FO2
Molecular Weight 458.6914
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 3
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:06:53 GMT 2023
Edited
by admin
on Sat Dec 16 10:06:53 GMT 2023
Record UNII
YQB3P55C7K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEP-187
Code English
1,3-CYCLOHEXANEDIOL, 5-((2E)-2-((1R,3AS,7AR)-1-((1S,2E)-6-ETHYL-6-FLUORO-1-METHYL-2-OCTEN-1-YL)OCTAHYDRO-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-4-METHYLENE-, (1R,3S,5Z)-
Systematic Name English
HEP187
Code English
1,3-CYCLOHEXANEDIOL, 5-((2E)-((1R,3AS,7AR)-1-((1S,2E)-6-ETHYL-6-FLUORO-1-METHYL-2-OCTENYL)OCTAHYDRO-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-4-METHYLENE-, (1R,3S,5Z)-
Systematic Name English
(1R,3S,5Z)-5-((2E)-2-((1R,3AS,7AR)-1-((1S,2E)-6-ETHYL-6-FLUORO-1-METHYL-2-OCTEN-1-YL)OCTAHYDRO-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-4-METHYLENE-1,3-CYCLOHEXANEDIOL
Systematic Name English
Code System Code Type Description
FDA UNII
YQB3P55C7K
Created by admin on Sat Dec 16 10:06:53 GMT 2023 , Edited by admin on Sat Dec 16 10:06:53 GMT 2023
PRIMARY
PUBCHEM
157010670
Created by admin on Sat Dec 16 10:06:53 GMT 2023 , Edited by admin on Sat Dec 16 10:06:53 GMT 2023
PRIMARY
CAS
478359-26-1
Created by admin on Sat Dec 16 10:06:53 GMT 2023 , Edited by admin on Sat Dec 16 10:06:53 GMT 2023
PRIMARY
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