4,5,19,20-Tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,13(35),14,16(34),18(33),19,21,28,31-dodecaene
Basic information
- CAS
16846-79-0- Standard SMILES
COc1cc2c3c(c1OC)Oc1ccc(cc1)CC1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)CC3N(C)CC2)CCN1C- InChIKey
ANOXEUSGZWSCQL-UHFFFAOYSA-N- Molecular formula
- C38H42N2O6
- Average molar mass
- 622.7 g/mol
- Monoisotopic mass
- 622.30428706
Overview
NSC615580 has been reported in Stephania tetrandra, Stephania delavayi, and other organisms with data available.
Names & identifiers
- Preferred name
- 4,5,19,20-Tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,13(35),14,16(34),18(33),19,21,28,31-dodecaene
- IUPAC
- 4,5,19,20-tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,13(35),14,16(34),18(33),19,21,28,31-dodecaene
Names & synonyms
NSC61558016846-79-04,5,19,20-Tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,13(35),14,16(34),18(33),19,21,28,31-dodecaeneCHEMBL1983719DTXSID30326780HMS3327A22MFCD00238567NCI60_0050001~6~,1~7~,5~6~,5~7~-Tetramethoxy-1~2~,5~2~-dimethyl-1~1~,1~2~,1~3~,1~4~,5~1~,5~2~,5~3~,5~4~-octahydro-4,8-dioxa-1(1,8),5(8,1)-diisoquinolina-3,7(1,4)-dibenzenacyclooctaphane
Database identifiers
- CAS
16846-79-0- PubChem CID
- 357329
- DTXSID
DTXSID30326780- ChEMBL
CHEMBL1983719
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
- 895
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Related reactions
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Compound notes
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