Uprolide G acetate
Basic information
- CAS
169217-46-3- Standard SMILES
C=C1C(=O)O[C@H]2[C@H](OC(C)=O)[C@@H](C)CCC[C@](C)(OC)[C@H]3CC[C@@](C)(O)[C@@H](C[C@@H]12)O3- InChIKey
OYCUGQTVFXWKPE-XVYUCDIRSA-N- Molecular formula
- C23H36O7
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.24610348
Overview
Uprolide G acetate has been reported in Eunicea mammosa with data available.
Names & identifiers
- Preferred name
- Uprolide G acetate
- IUPAC
- [(1R,3S,7R,8R,9S,13S,14R,17R)-17-hydroxy-13-methoxy-9,13,17-trimethyl-4-methylidene-5-oxo-6,18-dioxatricyclo[12.3.1.03,7]octadecan-8-yl] acetate
Names & synonyms
Uprolide G acetate169217-46-3[(1R,3S,7R,8R,9S,13S,14R,17R)-17-hydroxy-13-methoxy-9,13,17-trimethyl-4-methylidene-5-oxo-6,18-dioxatricyclo[12.3.1.03,7]octadecan-8-yl] acetate((1R,3S,7R,8R,9S,13S,14R,17R)-17-hydroxy-13-methoxy-9,13,17-trimethyl-4-methylidene-5-oxo-6,18-dioxatricyclo(12.3.1.03,7)octadecan-8-yl) acetateRefChem:193163((1R,3S,7R,8R,9S,13S,14R,17S)-13-hydroxy-17-methoxy-9,13,17-trimethyl-4-methylidene-5-oxo-6,18-dioxatricyclo(12.3.1.03,7)octadecan-8-yl) acetateUprolide G(+)-Uprolide G acetateDTXSID10937611(3aS,5R,6R,9R,10S,14S,15R,15aR)-6-hydroxy-10-methoxy-6,10,14-trimethyl-3-methylidene-2-oxohexadecahydro-5,9-epoxycyclotetradeca[b]furan-15-yl acetate5,9-Epoxycyclotetradeca(b)furan-2(3H)-one, 15-(acetyloxy)tetradecahydro-6-hydroxy-10-methoxy-6,10,14-trimethyl-3-methylene-, (3aS,5R,6R,9R,10S,14S,15R,15aR)-6-Hydroxy-10-methoxy-6,10,14-trimethyl-3-methylidene-2-oxohexadecahydro-5,9-epoxycyclotetradeca[b]furan-15-yl acetate
Database identifiers
- CAS
169217-46-3- PubChem CID
- 178125
- DTXSID
DTXSID10937611
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 691
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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