Basic information
- CAS
36284-97-6- Standard SMILES
CC1(C)CCc2cc3c(cc2O1)OCC1c2cc4c(cc2OC31)OCO4- InChIKey
BGWFJLDAZBGWOL-UHFFFAOYSA-N- Molecular formula
- C21H20O5
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.13107373
Names & identifiers
- Preferred name
- 1H,7H-(1,3)Dioxolo(5,6)benzofuro(3,2-c)pyrano(3,2-g)(1)benzopyran, 2,3,7a,13a-tetrahydro-3,3-dimethyl-, (7aR,13aR)-
- IUPAC
- 7,7-dimethyl-8,12,18,20,24-pentaoxahexacyclo[12.10.0.02,11.04,9.015,23.017,21]tetracosa-2(11),3,9,15,17(21),22-hexaene
- English name
- (7aR)-2,3,7a,13aα-Tetrahydro-3,3-dimethyl-1H,7H-[1,3]dioxolo[5,6]benzofuro[3,2-c]pyrano[3,2-g][1]benzopyran
- Molecular formula
- C21H20O5
- Molecular weight
- 352.38
Names & synonyms
36284-97-61H,7H-[1,3]Dioxolo[5,6]benzofuro[3,2-c]pyrano[3,2-g][1]benzopyran, 2,3,7a,13a-tetrahydro-3,3-dimethyl-, (7aR,13aR)-1H,7H-(1,3)Dioxolo(5,6)benzofuro(3,2-c)pyrano(3,2-g)(1)benzopyran, 2,3,7a,13a-tetrahydro-3,3-dimethyl-, (7aR,13aR)-RefChem:236857NeorautaneNSC6255323,3-Dimethyl-2,3,7a,13a-tetrahydro-1H,7H-[1,3]dioxolo[4',5':5,6][1]benzofuro[3,2-c]pyrano[3,2-g]chromeneCHEMBL1981524DTXSID501106573LMPK12070047NSC-625532NCI60_007926
Show more names
(7aR)-2,3,7a,13aα-Tetrahydro-3,3-dimethyl-1H,7H-[1,3]dioxolo[5,6]benzofuro[3,2-c]pyrano[3,2-g][1]benzopyran
(7aR)-2,3,7a,13aalpha-Tetrahydro-3,3-dimethyl-1H,7H-[1,3]dioxolo[5,6]benzofuro[3,2-c]pyrano[3,2-g][1]benzopyran
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 565
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Pterocarpans [PK1207]
Physicochemical properties
- Boiling point
- 456.825 · 456.825±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.306 · 1.306±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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