[(4S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-methylbutanoate
Basic information
- CAS
70424-54-3- Standard SMILES
CC1=CC(=O)[C@@H](O)[C@]2(C)[C@@H]3C45CO[C@]3(O)[C@H](O)[C@H](C)[C@@H]4[C@@H](OC(=O)CC(C)C)C(=O)O[C@@H]5C[C@@H]12- InChIKey
XYGCQTNZODZWCL-QVUDBRIDSA-N- Molecular formula
- C25H34O9
- Average molar mass
- 478.5 g/mol
- Monoisotopic mass
- 478.22028266
Names & identifiers
- Preferred name
- [(4S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-methylbutanoate
- IUPAC
- [(4S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-methylbutanoate
Database identifiers
- CAS
70424-54-3- PubChem CID
- 189757
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 973
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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