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Details

Stereochemistry RACEMIC
Molecular Formula C26H42O3
Molecular Weight 402.6099
Optical Activity ( + / - )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CP-55244, (±)-

SMILES

[H][C@@]12CC[C@H](CO)C[C@@]1([H])[C@@H](C[C@H](O)C2)C3=C(O)C=C(C=C3)C(C)(C)CCCCCC

InChI

InChIKey=ZAELPWSCABXXAB-NWXGMGMZSA-N
InChI=1S/C26H42O3/c1-4-5-6-7-12-26(2,3)20-10-11-22(25(29)15-20)24-16-21(28)14-19-9-8-18(17-27)13-23(19)24/h10-11,15,18-19,21,23-24,27-29H,4-9,12-14,16-17H2,1-3H3/t18-,19-,21+,23+,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H42O3
Molecular Weight 402.6099
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 16:57:16 UTC 2023
Edited
by admin
on Sat Dec 16 16:57:16 UTC 2023
Record UNII
3HMR7H9HX8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CP-55244, (±)-
Common Name English
rel-(2R,4aR,6S,8S,8aS)-8-[4-(1,1-Dimethylheptyl)-2-hydroxyphenyl]decahydro-6-hydroxy-2-naphthalenemethanol
Systematic Name English
2-NAPHTHALENEMETHANOL, 8-(4-(1,1-DIMETHYLHEPTYL)-2-HYDROXYPHENYL)DECAHYDRO-6-HYDROXY-, (2ALPHA,4ABETA,6ALPHA,8ALPHA,8AALPHA)-(+-)-
Common Name English
CP-55,244
Code English
2-Naphthalenemethanol, 8-[4-(1,1-dimethylheptyl)-2-hydroxyphenyl]decahydro-6-hydroxy-, (2R,4aR,6S,8S,8aS)-rel-
Systematic Name English
Code System Code Type Description
CAS
79678-32-3
Created by admin on Sat Dec 16 16:57:16 UTC 2023 , Edited by admin on Sat Dec 16 16:57:16 UTC 2023
PRIMARY
PUBCHEM
133254
Created by admin on Sat Dec 16 16:57:16 UTC 2023 , Edited by admin on Sat Dec 16 16:57:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID701000660
Created by admin on Sat Dec 16 16:57:16 UTC 2023 , Edited by admin on Sat Dec 16 16:57:16 UTC 2023
PRIMARY
WIKIPEDIA
CP 55,244
Created by admin on Sat Dec 16 16:57:16 UTC 2023 , Edited by admin on Sat Dec 16 16:57:16 UTC 2023
PRIMARY
FDA UNII
3HMR7H9HX8
Created by admin on Sat Dec 16 16:57:16 UTC 2023 , Edited by admin on Sat Dec 16 16:57:16 UTC 2023
PRIMARY