Basic information
- CAS
116948-40-4- Standard SMILES
COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@H](O)[C@@H](O)[C@@](C)(O)[C@@H]1O- InChIKey
VSMBLBOUQJNJIL-JJXSEGSLSA-N- Molecular formula
- C16H16O8
- Average molar mass
- 336.29 g/mol
- Monoisotopic mass
- 336.08451746
Overview
Altersolanol A is a pentahydroxyanthraquinone.
Names & identifiers
- Preferred name
- Altersolanol A
- IUPAC
- (1S,2R,3S,4R)-1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione
Names & synonyms
Altersolanol A22268-16-2(1S,2R,3S,4R)-1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dioneZS3LU23BE3DTXSID10891800NSC-173943RefChem:111572DTXCID101031037As-A 2StemphylinCHEBI:2615AC1L3IB0
Show more names
AC1Q6I5JNSC 173943UNII-ZS3LU23BE3CHEMBL512054orb2564285SCHEMBL2793105SCHEMBL29845341DTXSID701043575
Database identifiers
- CAS
116948-40-4、22268-16-2- PubChem CID
- 89644
- DTXSID
DTXSID10891800- ChEMBL
CHEMBL512054- ChEBI
CHEBI:2615- UNII
- ZS3LU23BE3
- Nikkaji
- J16.205A
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 613
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…