Basic information
- CAS
62950-37-2- Standard SMILES
C=C1CCC(OC(C)=O)C2(C)C(OC(C)=O)CC3OC3(C)C2C(OC(C)=O)C2C(C)C(=O)OC2C1Cl- InChIKey
ALCDJXWWURFGPE-UHFFFAOYSA-N- Molecular formula
- C26H35ClO9
- Average molar mass
- 527 g/mol
- Monoisotopic mass
- 526.1969604
Names & identifiers
- Preferred name
- CID 323968
- IUPAC
- (2,14-diacetyloxy-8-chloro-4,13,18-trimethyl-9-methylidene-5-oxo-6,17-dioxatetracyclo[11.5.0.03,7.016,18]octadecan-12-yl) acetate
Names & synonyms
NSC287457CHEMBL1965152DTXSID40978794NSC-287457NCI60_002359(diacetoxy-chloro-trimethyl-methylene-oxo-[?]yl) acetate(2,14-diacetyloxy-8-chloro-4,13,18-trimethyl-9-methylidene-5-oxo-6,17-dioxatetracyclo[11.5.0.03,7.016,18]octadecan-12-yl) acetate11,12-Epoxybenzo[4,5]cyclodeca[1,2-b]furan-2(1H)-one, 8,9,13-tris(acetyloxy)-4-chlorotetradecahydro-1,8a,12-trimethyl-5-methylene-4-Chloro-1,8a,12-trimethyl-5-methylidene-2-oxohexadecahydro-11,12-epoxybenzo[4,5]cyclodeca[1,2-b]furan-8,9,13-triyl triacetate
Database identifiers
- CAS
62950-37-2- PubChem CID
- 323968
- DTXSID
DTXSID40978794- ChEMBL
CHEMBL1965152
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 980
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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