(1R,4aR,5S,8aR)-5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
-
![(1R,4aR,5S,8aR)-5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/acdf9b19b6ba462bab30d334f38b40f3.png "(1R,4aR,5S,8aR)-5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid")
(1R,4aR,5S,8aR)-5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
structure -
-
CAS No:
139628-86-7
-
Formula:
C21H32O4
-
Chemical Name:
(1R,4aR,5S,8aR)-5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
-
Synonyms:
Agathene dicarboxylic acid-C15-methylester; Mecolabate; Methyl 18-carboxylabda-8,13-diene-15-oate; 1-Naphthalenecarboxylic acid,decahydro-5-(5-methoxy-3-methyl-5-oxo-3-pentenyl)-1,4a-dimethyl-6-methylene-,(1R-(1alpha,4abeta,5beta(E),8aalpha));
-
CAS No:
(1R,4aR,5S,8aR)-5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid Basic Attributes
348.47600
348.23005950
Computed Properties
Molecular Weight:348.5
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:348.23005950
Monoisotopic Mass:348.23005950
Topological Polar Surface Area:63.6
Heavy Atom Count:25
Complexity:591
Defined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Learn More Other Chemicals
-
3,5-DIBROMO-2-[[[(3,5-DINITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
535965-38-9
-
3,5-DIBROMO-2-[[[[(2-CHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
532386-89-3
-
3,5-DIBROMO-2-[[[(4-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
532943-48-9
-
3,5-DIBROMO-2-[[[[3-(2-FURANYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Formula
586392-09-8
-
3,5-DIBROMO-2-[[[[(2-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Formula
531548-30-8
-
2-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid Formula
333340-54-8
-
3,5-DIBROMO-2-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Structure
586393-79-5
-
3,5-DIBROMO-2-[[[(4-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Structure
531530-32-2
-
What is 2-Cyclopentyl-3-(2,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-oxo-4-isoquinolinecarboxylic acid
400073-92-9
-
What is 9-Octadecenoic acid (9Z)-, compd. with N,N-dimethylcyclohexanamine (1:1)
65122-23-8
Request for Quotation