Basic information
- CAS
66583-56-0- Standard SMILES
CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@H]([C@@H]1C2(C)C)[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]13- InChIKey
JGUYJMIAKPTIAH-MTAILJIJSA-N- Molecular formula
- C32H50O8
- Average molar mass
- 562.7 g/mol
- Monoisotopic mass
- 562.35056855
Overview
Baliospermin is a monoterpenoid.
Names & identifiers
- Preferred name
- Baliospermin
- IUPAC
- [(1R,2S,4R,5S,6S,10S,11R,12R,14S,16R)-5,6,11-trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-14-yl] dodecanoate
Names & synonyms
Baliospermin66583-56-0C09065CHEBI:2987DTXSID90331714NS00097308Q27105913(1aR,1bR,1cS,2aR,3S,3aS,6aS,6bR,7R,8aS)-3,3a,6b-Trihydroxy-2a-(hydroxymethyl)-1,1,5,7-tetramethyl-4-oxo-1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-8aH-cyclopropa[5',6']benzo[1',2':7,8]azuleno[5,6-b]oxiren-8a-yl dodecanoate[(1R,2S,4R,5S,6S,10S,11R,12R,14S,16R)-5,6,11-trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-14-yl] dodecanoate
Database identifiers
- CAS
66583-56-0- PubChem CID
- 442006
- DTXSID
DTXSID90331714- ChEBI
CHEBI:2987- Nikkaji
- J39.304E
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…