3,11,21,22-Tetraoxaheptacyclo[10.9.1.11,6.112,16.02,4.010,24.020,23]tetracosa-6,8,10(24),13,16(23),17,19-heptaene-5,7,15-triol
Basic information
- CAS
129240-52-4- Standard SMILES
Oc1ccc2c3c1C(O)C1OC1C31Oc3cccc4c3C(C=CC4O)(O2)O1- InChIKey
YYUIJBSRPPKHNR-UHFFFAOYSA-N- Molecular formula
- C20H14O7
- Average molar mass
- 366.3 g/mol
- Monoisotopic mass
- 366.07395278
Overview
Preussomerin A has been reported in Preussia isomera and Lasiodiplodia theobromae with data available.
Names & identifiers
- Preferred name
- 3,11,21,22-Tetraoxaheptacyclo[10.9.1.11,6.112,16.02,4.010,24.020,23]tetracosa-6,8,10(24),13,16(23),17,19-heptaene-5,7,15-triol
- IUPAC
- 3,11,21,22-tetraoxaheptacyclo[10.9.1.11,6.112,16.02,4.010,24.020,23]tetracosa-6,8,10(24),13,16(23),17,19-heptaene-5,7,15-triol
Names & synonyms
Preussomerin A129240-52-4DTXSID209263548a,9a-Dihydro-1H,8H-3a,9b-epoxynaphtho[1,8-bc]oxireno[2,3]naphtho[1,8-fg][1,5]dioxocine-1,7,8-triol
Database identifiers
- CAS
129240-52-4- PubChem CID
- 180489
- DTXSID
DTXSID20926354
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 712
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…