4a,7a-Epoxy-5H-cyclopenta[a]cyclopropa[f]cycloundecene-2,4,7,10,11-pentol, 1,1a,2,3,4,6,7,10,11,11a-decahydro-1,1,3,6,9-pentamethyl-, 2,7,10,11-tetraacetate
Basic information
- CAS
51950-35-7- Standard SMILES
CC(=O)OC1/C(C)=C/C23OC2(CC(C)C3OC(C)=O)C(O)C(C)C(OC(C)=O)C2C(C1OC(C)=O)C2(C)C- InChIKey
BPNFPYKEVDHBFP-ZRDIBKRKSA-N- Molecular formula
- C28H40O10
- Average molar mass
- 536.6 g/mol
Names & identifiers
- Preferred name
- 4a,7a-Epoxy-5H-cyclopenta[a]cyclopropa[f]cycloundecene-2,4,7,10,11-pentol, 1,1a,2,3,4,6,7,10,11,11a-decahydro-1,1,3,6,9-pentamethyl-, 2,7,10,11-tetraacetate
- IUPAC
- [(10E)-8,9,13-triacetyloxy-2-hydroxy-3,6,6,10,14-pentamethyl-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-4-yl] acetate
- English name
- 4a,7a-Epoxy-5H-cyclopenta[a]cyclopropa[f]cycloundecene-2,4,7,10,11-pen tol, 1,1a,2,3,4,6,7,10,11,11a-decahydro-1,1,3,6,9-pentamethyl-, 2,7,10 ,11-tetraacetate
- Molecular formula
- C28H40O10
- Molecular weight
- 536.61
Names & synonyms
BPNFPYKEVDHBFP-BENRWUELSA-N4a,7a-Epoxy-5H-cyclopenta[a]cyclopropa[f]cycloundecene-2,4,7,10,11-pentol, 1,1a,2,3,4,6,7,10,11,11a-decahydro-1,1,3,6,9-pentamethyl-, 2,7,10,11-tetraacetate1,1a,2,3,4,6,7,10,11,11a-Decahydro-1,1,3,6,9-pentamethyl-4a,7a-epoxy-5H-cyclopenta[a]cyclopropa[f]cycloundecene-2,4,7,10,11-pentol 2,7,10,11-tetraacetate4a,7a-Epoxy-5H-cyclopenta[a]cyclopropa[f]cycloundecene-2,4,7,10,11-pen tol, 1,1a,2,3,4,6,7,10,11,11a-decahydro-1,1,3,6,9-pentamethyl-, 2,7,10 ,11-tetraacetate4a,7a-Epoxy-5H-cyclopenta[a]cyclopropa[f]cycloundecene-2,4,7,10,11-pentol, 1,1a,2,3,4,6,7,10,11,11a-decahydro-1,1,3,6,9-pentamethyl-, 2,7,10,11-tetraacetate (9CI)
Database identifiers
- CAS
51950-35-7- Nikkaji
- J145.650D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,060
Physicochemical properties
- Boiling point
- 590.3 · 590.3±50.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 14.17 · 14.17±0.70(Predicted)
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Compound notes
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