Basic information
- CAS
7701-84-0- Standard SMILES
C=C(C)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2C3=O)O1- InChIKey
JUVIOZPCNVVQFO-UHFFFAOYSA-N- Molecular formula
- C23H22O6
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 394.14163842
Overview
5'beta-Rotenone has been reported in Derris elliptica, Pachyrhizus tuberosus, and other organisms with data available.
Names & identifiers
- Preferred name
- 5'beta-Rotenone
- IUPAC
- 16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
Names & synonyms
5'beta-Rotenone16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo(11.8.0.03,11.04,8.014,19)henicosa-3(11),4(8),9,14,16,18-hexaen-12-oneRefChem:1072086[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one,1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2R,6aS,12aS)-Rotenone, dehydro12679-58-27701-84-05'.beta.-Rotenone[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, [2R-(2.alpha.,6a.alpha.,12a.alpha.)]-[2R-(2alpha,6a-alpha,12a-alpha)]-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one
Show more names
Green cross warble(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6a.alpha.H)-one, 1,2,12,12a.alpha.-tetrahydro-2.alpha.-isopropenyl-8,9-dimethoxy-(2R,6aS,12aS)-1,2,12,12a-Tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6a.alpha.H)-one, 1,2,12,12a.alpha.-tetrahydro-2.alpha.-isopropenyl-8,9-dimethoxy-Neuro_000013MLS006011865CHEMBL418710orb1304789
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 664
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
LogP4.1
Collision Cross Section195.01 Ų [M+H]+ [CCS Type: TW]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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