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Details

Stereochemistry UNKNOWN
Molecular Formula C18H28O2
Molecular Weight 276.4137
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACETOXYMETHYLISOLONGIFOLENE

SMILES

CC(=O)OC[C@H]1CCC(C)(C)[C@]23C[C@@H]4C[C@@H]2[C@@]13C4(C)C

InChI

InChIKey=ANPXCNWSCGYEMA-PUQNWLDYSA-N
InChI=1S/C18H28O2/c1-11(19)20-10-12-6-7-15(2,3)17-9-13-8-14(17)18(12,17)16(13,4)5/h12-14H,6-10H2,1-5H3/t12-,13+,14+,17+,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H28O2
Molecular Weight 276.4137
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 Mon Mar 31 21:48:46 GMT 2025
Edited
by admin
on Mon Mar 31 21:48:46 GMT 2025
Record UNII
FBM3GR9V2S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETOXYMETHYLISOLONGIFOLENE
Common Name English
2,3B-METHANO-3BH-CYCLOPENTA(1,3)CYCLOPROPA(1,2)BENZENE-4-METHANOL, OCTAHYDRO-7,7,8,8-TETRAMETHYL-, 4-ACETATE
Preferred Name English
2,3B-METHANO-3BH-CYCLOPENTA(1,3)CYCLOPROPA(1,2)BENZENE-4-METHANOL, OCTAHYDRO-7,7,8,8-TETRAMETHYL-, ACETATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30866732
Created by admin on Mon Mar 31 21:48:46 GMT 2025 , Edited by admin on Mon Mar 31 21:48:46 GMT 2025
PRIMARY
CAS
59056-62-1
Created by admin on Mon Mar 31 21:48:46 GMT 2025 , Edited by admin on Mon Mar 31 21:48:46 GMT 2025
PRIMARY
ECHA (EC/EINECS)
261-579-5
Created by admin on Mon Mar 31 21:48:46 GMT 2025 , Edited by admin on Mon Mar 31 21:48:46 GMT 2025
PRIMARY
PUBCHEM
155804778
Created by admin on Mon Mar 31 21:48:46 GMT 2025 , Edited by admin on Mon Mar 31 21:48:46 GMT 2025
PRIMARY PUBCHEM
FDA UNII
FBM3GR9V2S
Created by admin on Mon Mar 31 21:48:46 GMT 2025 , Edited by admin on Mon Mar 31 21:48:46 GMT 2025
PRIMARY