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Details

Stereochemistry RACEMIC
Molecular Formula C16H28O
Molecular Weight 236.3929
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMBROXIDE, (±)-

SMILES

[H][C@]12CCO[C@]1(C)CC[C@@]3([H])C(C)(C)CCC[C@]23C

InChI

InChIKey=YPZUZOLGGMJZJO-LQKXBSAESA-N
InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12-,13+,15-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H28O
Molecular Weight 236.3929
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:57:42 GMT 2023
Edited
by admin
on Sat Dec 16 08:57:42 GMT 2023
Record UNII
K60YJF1E9A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMBROXIDE, (±)-
Common Name English
(±)-AMBROX
Common Name English
NAPHTHO(2,1-B)FURAN, DODECAHYDRO-3A,6,6,9A-TETRAMETHYL-
Systematic Name English
DODECAHYDRO-3A,6,6,9A-TETRAMETHYLNAPHTHO(2,1-B)FURAN
Systematic Name English
1,5,5,9-TETRAMETHYL-13-OXATRICYCLO (8.3.0.0.(4.9))TRIDECANE
Common Name English
(±)-(3A.ALPHA.,5A.BETA.,9A.ALPHA.,9B.BETA.)-3A,6,6,9A-TETRAMETHYLDODECAHYDRONAPHTHO(2,1-B)FURAN
Common Name English
NAPHTHO(2,1-B)FURAN, DODECAHYDRO-3A,6,6,9A-TETRAMETHYL-, (3AR,5AS,9AS,9BR)-REL-
Systematic Name English
AMBROXIDE [MI]
Common Name English
NAPHTHO(2,1-B)FURAN, DODECAHYDRO-3A,6,6,9A-TETRAMETHYL-, (3A.ALPHA.,5A.BETA.,9A.ALPHA.,9B.BETA.)-(±)-
Systematic Name English
NAPHTHO(2,1-B)FURAN, DODECAHYDRO-3A,6,6,9A-TETRAMETHYL-, (3A.ALPHA.,5A.BETA.,9A.ALPHA.,9B.BETA.)-
Common Name English
Code System Code Type Description
SMS_ID
300000027053
Created by admin on Sat Dec 16 08:57:42 GMT 2023 , Edited by admin on Sat Dec 16 08:57:42 GMT 2023
PRIMARY
WIKIPEDIA
Ambroxide
Created by admin on Sat Dec 16 08:57:42 GMT 2023 , Edited by admin on Sat Dec 16 08:57:42 GMT 2023
PRIMARY
MERCK INDEX
m12122
Created by admin on Sat Dec 16 08:57:42 GMT 2023 , Edited by admin on Sat Dec 16 08:57:42 GMT 2023
PRIMARY
CAS
3738-00-9
Created by admin on Sat Dec 16 08:57:42 GMT 2023 , Edited by admin on Sat Dec 16 08:57:42 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
100679-85-4
Created by admin on Sat Dec 16 08:57:42 GMT 2023 , Edited by admin on Sat Dec 16 08:57:42 GMT 2023
PRIMARY
ECHA (EC/EINECS)
223-118-6
Created by admin on Sat Dec 16 08:57:42 GMT 2023 , Edited by admin on Sat Dec 16 08:57:42 GMT 2023
PRIMARY
FDA UNII
K60YJF1E9A
Created by admin on Sat Dec 16 08:57:42 GMT 2023 , Edited by admin on Sat Dec 16 08:57:42 GMT 2023
PRIMARY
PUBCHEM
10857465
Created by admin on Sat Dec 16 08:57:42 GMT 2023 , Edited by admin on Sat Dec 16 08:57:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID2048119
Created by admin on Sat Dec 16 08:57:42 GMT 2023 , Edited by admin on Sat Dec 16 08:57:42 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE