Basic information
- CAS
477-58-7- Standard SMILES
COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CCN1C- InChIKey
NGZXDRGWBULKFA-WUFINQPMSA-N- Molecular formula
- C36H38N2O6
- Average molar mass
- 594.7 g/mol
- Monoisotopic mass
- 594.27298694
Overview
chondrocurine has been reported in Chondrodendron tomentosum and Stephania longa with data available.
Names & identifiers
- Preferred name
- Tubocurine
- IUPAC
- (1S,16R)-10,25-dimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol
Names & synonyms
ChondocurineChondrocurineTUBOCURINE477-58-7LJ6BM02KTMDTXSID60197248(1S,16R)-10,25-dimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol(1S,16R)-10,25-dimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo(22.6.2.23,6.18,12.118,22.027,31.016,34)hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diolRefChem:125779DTXCID70119739207-516-7UNII-LJ6BM02KTM
Show more names
EINECS 207-516-7Tubocuraran-7',12'-diol, 6,6'-dimethoxy-2,2'-dimethyl-D-CHONDROCURINED-TUBOCURINECHONDROCURINE [MI]6,6'-Dimethoxy-2,2'-dimethyltubocuraran-7',12'-diol2'-DEMETHYLTUBOCURARINEorb1740270
Database identifiers
- CAS
477-58-7- PubChem CID
- 14947
- DTXSID
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 948
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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