Spiro(2,26-dioxabicyclo(23.3.1)nonacosa-4,18,20-triene-27,2'-(2H)pyran)-3,13-dione, 22-ethyl-3',4',5',6'-tetrahydro-7,9,11,14,15-pentahydroxy-6'-(2-hydroxypropyl)-5',6,8,10,14,16,28,29-octamethyl-
Basic information
- CAS
207570-04-5- Standard SMILES
CCC1/C=C/C=C/CC(C)C(O)C(C)(O)C(=O)CC(O)C(C)C(O)C(C)C(O)C(C)/C=C/C(=O)OC2C(C)C(CC1)OC1(CCC(C)C(CC(C)O)O1)C2C- InChIKey
SNGCTKIKLPHLOE-JPZVTNKTSA-N- Molecular formula
- C44H74O11
- Average molar mass
- 779 g/mol
- Monoisotopic mass
- 778.52311317
Names & identifiers
- Preferred name
- Spiro(2,26-dioxabicyclo(23.3.1)nonacosa-4,18,20-triene-27,2'-(2H)pyran)-3,13-dione, 22-ethyl-3',4',5',6'-tetrahydro-7,9,11,14,15-pentahydroxy-6'-(2-hydroxypropyl)-5',6,8,10,14,16,28,29-octamethyl-
- IUPAC
- (4E,18E,20E)-22-ethyl-7,9,11,14,15-pentahydroxy-6'-(2-hydroxypropyl)-5',6,8,10,14,16,28,29-octamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,13-dione
Names & synonyms
BE-56384FDD5D99M8Z(-)-BE-56384207570-04-5Spiro(2,26-dioxabicyclo(23.3.1)nonacosa-4,18,20-triene-27,2'-(2H)pyran)-3,13-dione, 22-ethyl-3',4',5',6'-tetrahydro-7,9,11,14,15-pentahydroxy-6'-(2-hydroxypropyl)-5',6,8,10,14,16,28,29-octamethyl-Spiro(2,26-dioxabicyclo(23.3.1)nonacosa-4,18,20-triene-27,2'-(2H)pyran)-3,13-dione, 22-ethyl-3',4',5',6'-tetrahydro-7,9,11,14,15-pentahydroxy-6'-(2-hydroxypropyl)-5',6,8,10,14,16,28,29-octamethyl-, (-)-UNII-FDD5D99M8ZSCHEMBL12015017Q27277925
Database identifiers
- CAS
207570-04-5- PubChem CID
- 9853746
- UNII
- FDD5D99M8Z
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,320
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