Austocystin B
Basic information
- CAS
55256-57-0- Standard SMILES
CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@H]1OC=C[C@@H]41- InChIKey
JWPAJVNQGTWPMI-WIUDPPPLSA-N- Molecular formula
- C22H20O7
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 396.12090297
Overview
Austocystin B has been reported in Aspergillus ustus with data available.
Names & identifiers
- Preferred name
- Austocystin B
- IUPAC
- (4S,8R)-2,18-dihydroxy-15-(3-hydroxy-3-methylbutyl)-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
- English name
- AUSTOCYSTINB
- Molecular formula
- C22H20O7
- Molecular weight
- 396.39
Names & synonyms
Austocystin B55256-57-05H-Furo(3',2':4,5)furo(3,2-b)xanthen-5-one, 3a,12a-dihydro-4,6-dihydroxy-9-(3-hydroxy-3-methylbutyl)-, (3as-cis)-CCRIS 2006BRN 5168709BM5C6Z3QGSDTXSID70203768(3aS,12aR)-4,6-Dihydroxy-9-(3-hydroxy-3-methylbutyl)-3a,12a-dihydro-5H-furo[3',2':4,5]furo[3,2-b]xanthen-5-one5H-Furo[3',2':4,5]furo[3,2-b]xanthen-5-one, 3a,12a-dihydro-4,6-dihydroxy-9-(3-hydroxy-3-methylbutyl)-, (3aS,12aR)-AUSTOCYSTINB(3aS,12aR)-3a,12a-Dihydro-4,6-dihydroxy-9-(3-hydroxy-3-methylbutyl)-5H-furo[3',2':4,5]furo[3,2-b]xanthen-5-one5H-Furo[3',2':4,5]furo[3,2-b]xanthen-5-one, 3a,12a-dihydro-4,6-dihydroxy-9-(3-hydroxy-3-methylbutyl)-, (3aS,12aR)- (9CI)
Database identifiers
- CAS
55256-57-0- PubChem CID
- 5488068
- DTXSID
DTXSID70203768- UNII
- BM5C6Z3QGS
- Nikkaji
- J31.885J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 691
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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