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Basic information
- CAS
26116-88-1- Standard SMILES
CC(=O)OC1[C@@H]2CC[C@@H]3C1(C[C@@H](OC(C)=O)[C@@]1(O)[C@@H]([C@@H]4O[C@@H]4C1(C)C)[C@]3(C)O)C[C@@]2(C)O- InChIKey
BQXZYRJBFJGDSL-IDMDAGKXSA-N- Molecular formula
- C24H36O8
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.24101811
Overview
5,10,16-Trihydroxy-2,3-epoxygrayanotoxane-6,14-diyl diacetate has been reported in Rhododendron molle with data available.
Names & identifiers
- Preferred name
- 5,10,16-Trihydroxy-2,3-epoxygrayanotoxane-6,14-diyl diacetate
- IUPAC
- [(3R,4R,6R,8S,9S,10R,11R,14S,15R)-17-acetyloxy-4,10,15-trihydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-3-yl] acetate
Names & synonyms
DTXSID409490055,10,16-Trihydroxy-2,3-epoxygrayanotoxane-6,14-diyl diacetate5,10,16-Trihydroxy-2beta,3beta,6beta,13beta-2,3-epoxygrayanotoxane-6,14-diyl diacetate
Database identifiers
- CAS
26116-88-1- PubChem CID
- 198050
- DTXSID
DTXSID40949005
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 872
Chemistry & industry
Suppliers2 total
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
成都普瑞法科技开发有限公司+86-28-82633860; +86-18080483897 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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