CID 641602
Basic information
- CAS
2209882-43-7- Standard SMILES
C[C@@H]1CC[C@@H]2[C@H](C)C(=O)O[C@H]3O[C@]4(C)CC[C@H]1[C@@]32OO4- InChIKey
BLUAFEHZUWYNDE-RYELPGNOSA-N- Molecular formula
- C15H22O5
- Average molar mass
- 282.33 g/mol
- Monoisotopic mass
- 282.1467238
Overview
CID 641602 has been reported in Artemisia annua with data available.
Names & identifiers
- Preferred name
- CID 641602
- IUPAC
- (1S,4R,5R,8R,9S,12R,13S)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
Names & synonyms
DTXSID2010451262209882-43-73,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one, octahydro-3,6,9-trimethyl-, (3S,5aR,6R,8aR,9S,12R,12aS)-
Database identifiers
- CAS
2209882-43-7- PubChem CID
- 641602
- DTXSID
DTXSID201045126
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 452
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Related reactions
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Compound notes
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