6,6',7,12'-Tetramethoxy-2,2'-dimethyloxyacanthan
Basic information
- CAS
1263-80-5- Standard SMILES
COc1ccc2cc1Oc1ccc(cc1)CC1c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)C4C2)CCN1C- InChIKey
FBCXFKWMGIWMJQ-UHFFFAOYSA-N- Molecular formula
- C38H42N2O6
- Average molar mass
- 622.7 g/mol
- Monoisotopic mass
- 622.30428706
Overview
6,6',7,12'-Tetramethoxy-2,2'-dimethyloxyacanthan has been reported in Stephania cephalantha, Berberis tschonoskyana, and other organisms with data available.
Names & identifiers
- Preferred name
- 6,6',7,12'-Tetramethoxy-2,2'-dimethyloxyacanthan
- IUPAC
- 6,20,21,25-tetramethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaene
Names & synonyms
6,6',7,12'-tetramethoxy-2,2'-dimethyloxyacanthanDTXSID1094911826252-04-06,20,21,25-tetramethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo(22.6.2.29,12.13,7.114,18.027,31.022,33)hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaene6,20,21,25-tetramethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaeneRefChem:305993DTXCID70214834NSC140849NSC269190NSC-140849NSC-269190
Database identifiers
- CAS
1263-80-5、26252-04-0- PubChem CID
- 284692
- DTXSID
DTXSID10949118
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 979
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Compound notes
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