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Details

Stereochemistry RACEMIC
Molecular Formula C18H20O3
Molecular Weight 284.3496
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BISDEHYDRODOISYNOLIC ACID

SMILES

CC[C@H]1C2=C(CC[C@@]1(C)C(O)=O)C3=CC=C(O)C=C3C=C2

InChI

InChIKey=HMYBVYBHZVQZNH-FUHWJXTLSA-N
InChI=1S/C18H20O3/c1-3-16-15-6-4-11-10-12(19)5-7-13(11)14(15)8-9-18(16,2)17(20)21/h4-7,10,16,19H,3,8-9H2,1-2H3,(H,20,21)/t16-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H20O3
Molecular Weight 284.3496
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:18:55 GMT 2023
Edited
by admin
on Sat Dec 16 18:18:55 GMT 2023
Record UNII
L7N8HRK49S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BISDEHYDRODOISYNOLIC ACID
Common Name English
1-ETHYL-1,2,3,4-TETRAHYDRO-7-HYDROXY-2-METHYL-2-PHENANTHRENECARBOXYLIC ACID
Systematic Name English
2-PHENANTHRENECARBOXYLIC ACID, 1-ETHYL-1,2,3,4-TETRAHYDRO-7-HYDROXY-2-METHYL-
Systematic Name English
(Z)-BDDA
Common Name English
2-PHENANTHRENECARBOXYLIC ACID, 1-ETHYL-1,2,3,4-TETRAHYDRO-7-HYDROXY-2-METHYL-, (1R,2S)-REL-
Systematic Name English
DOISYNOLIC ACID, TETRADEHYDRO-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID80353581
Created by admin on Sat Dec 16 18:18:55 GMT 2023 , Edited by admin on Sat Dec 16 18:18:55 GMT 2023
PRIMARY
PUBCHEM
10016732
Created by admin on Sat Dec 16 18:18:55 GMT 2023 , Edited by admin on Sat Dec 16 18:18:55 GMT 2023
PRIMARY
WIKIPEDIA
Bisdehydrodoisynolic_acid
Created by admin on Sat Dec 16 18:18:55 GMT 2023 , Edited by admin on Sat Dec 16 18:18:55 GMT 2023
PRIMARY
FDA UNII
L7N8HRK49S
Created by admin on Sat Dec 16 18:18:55 GMT 2023 , Edited by admin on Sat Dec 16 18:18:55 GMT 2023
PRIMARY
CAS
5684-12-8
Created by admin on Sat Dec 16 18:18:55 GMT 2023 , Edited by admin on Sat Dec 16 18:18:55 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
Related Record Type Details
ENANTIOMER -> ENANTIOMER
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY