Basic information
- CAS
25383-25-9- Standard SMILES
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC12C- InChIKey
LMJMTWXDWFWZHV-UHFFFAOYSA-N- Molecular formula
- C32H48O8
- Average molar mass
- 560.7 g/mol
- Monoisotopic mass
- 560.33491849
Names & identifiers
- Preferred name
- [6-Hydroxy-2-methyl-5-oxo-6-(2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-3-en-2-yl] acetate
- IUPAC
- [6-hydroxy-2-methyl-5-oxo-6-(2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-3-en-2-yl] acetate
Names & synonyms
Neuro_000066ZDA53082[6-hydroxy-2-methyl-5-oxo-6-(2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-3-en-2-yl] acetateCucurbitacin F-25-acetate; Cucurbitacin Q119-Norlanosta-5,23-diene-11,22-dione,25-(acetyloxy)-2,3,16,20-tetrahydroxy-9-methyl-,(2b,3a,9b,10a,16a,23E)-
Database identifiers
- CAS
25383-25-9- PubChem CID
- 457963
- DTXSID
DTXSID301317300
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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