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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24O5
Molecular Weight 356.4123
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RUTAMARIN, (+)-

SMILES

CC(=O)OC(C)(C)[C@@H]1CC2=CC3=C(OC(=O)C(=C3)C(C)(C)C=C)C=C2O1

InChI

InChIKey=AWMHMGFGCLBSAY-SFHVURJKSA-N
InChI=1S/C21H24O5/c1-7-20(3,4)15-9-13-8-14-10-18(21(5,6)26-12(2)22)24-16(14)11-17(13)25-19(15)23/h7-9,11,18H,1,10H2,2-6H3/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H24O5
Molecular Weight 356.4123
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:38:08 GMT 2023
Edited
by admin
on Sat Dec 16 08:38:08 GMT 2023
Record UNII
HSZ140D583
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RUTAMARIN, (+)-
Common Name English
7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 2-(1-(ACETYLOXY)-1-METHYLETHYL)-6-(1,1-DIMETHYL-2-PROPEN-1-YL)-2,3-DIHYDRO-, (2S)-
Systematic Name English
(+)-RUTAMARIN
Common Name English
(2S)-2-(1-(ACETYLOXY)-1-METHYLETHYL)-6-(1,1-DIMETHYL-2-PROPEN-1-YL)-2,3-DIHYDRO-7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE
Systematic Name English
NSC-263654
Code English
CHALEPIN ACETATE, (+)-
Common Name English
S-(+)-CHALEPIN ACETATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10927299
Created by admin on Sat Dec 16 08:38:08 GMT 2023 , Edited by admin on Sat Dec 16 08:38:08 GMT 2023
PRIMARY
CAS
14882-94-1
Created by admin on Sat Dec 16 08:38:08 GMT 2023 , Edited by admin on Sat Dec 16 08:38:08 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
NSC
263654
Created by admin on Sat Dec 16 08:38:08 GMT 2023 , Edited by admin on Sat Dec 16 08:38:08 GMT 2023
PRIMARY
CAS
13164-05-1
Created by admin on Sat Dec 16 08:38:08 GMT 2023 , Edited by admin on Sat Dec 16 08:38:08 GMT 2023
PRIMARY
PUBCHEM
442148
Created by admin on Sat Dec 16 08:38:08 GMT 2023 , Edited by admin on Sat Dec 16 08:38:08 GMT 2023
PRIMARY
FDA UNII
HSZ140D583
Created by admin on Sat Dec 16 08:38:08 GMT 2023 , Edited by admin on Sat Dec 16 08:38:08 GMT 2023
PRIMARY