Basic information
- CAS
35471-06-8- Standard SMILES
COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(OC)c(cc3CCN1C)Oc1c(O)c(OC)cc3c1C(C2)N(C)CC3- InChIKey
XHVRQOOXGBHNFA-UHFFFAOYSA-N- Molecular formula
- C37H40N2O6
- Average molar mass
- 608.7 g/mol
- Monoisotopic mass
- 608.288637
Overview
(-)-Belarine has been reported in Berberis laurina with data available.
Names & identifiers
- Preferred name
- (-)-Belarine
- IUPAC
- 10,15,26-trimethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecaen-14-ol
Names & synonyms
(-)-Belarine35471-06-8DTXSID0033114410,15,26-trimethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo(27.2.2.17,11.113,17.123,27.03,8.021,35)hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecaen-14-ol10,15,26-trimethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(31),7(36),8,10,13(35),14,16,23(34),24,26,29,32-dodecaen-14-olRefChem:67734DTXCID50282238NSC374526BELARINE (-)NSC-3745261~7~,3~6~,5~4~-Trimethoxy-1~2~,3~2~-dimethyl-1~1~,1~2~,1~3~,1~4~,3~1~,3~2~,3~3~,3~4~-octahydro-2,6-dioxa-1(6,1),3(8,1)-diisoquinolina-5(1,3),7(1,4)-dibenzenacyclooctaphan-3~7~-ol
Database identifiers
- CAS
35471-06-8- PubChem CID
- 435708
- DTXSID
DTXSID00331144
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 963
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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