[2-[(1R,2S,4R,8S,9S,12S,13R,16S)-16-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-8-yl]-2-oxoethyl] acetate
Basic information
- CAS
10598-18-2- Standard SMILES
CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C- InChIKey
ZGSRADNVNCTCOP-IFIMTULTSA-N- Molecular formula
- C26H38O6
- Average molar mass
- 446.6 g/mol
- Monoisotopic mass
- 446.26683893
Names & identifiers
- Preferred name
- [2-[(1R,2S,4R,8S,9S,12S,13R,16S)-16-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-8-yl]-2-oxoethyl] acetate
- IUPAC
- [2-[(1R,2S,4R,8S,9S,12S,13R,16S)-16-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-8-yl]-2-oxoethyl] acetate
Names & synonyms
NSC6234910598-18-2MLS002693373NSC-62349CHEMBL2001023NCI60_006962
Database identifiers
- CAS
10598-18-2- PubChem CID
- 247516
- ChEMBL
CHEMBL2001023
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 862
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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