Basic information
- CAS
130778-40-4- Standard SMILES
CCOC1OC2OC3(C)CCC4C(C)C(O)CC(C1C)C24OO3- InChIKey
WFIMQBUUYYWZTM-UHFFFAOYSA-N- Molecular formula
- C17H28O6
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.18858861
Names & identifiers
- Preferred name
- 9alpha-Hydroxyarteether
- IUPAC
- 10-ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-6-ol
Names & synonyms
9alpha-Hydroxyarteether130855-38-87-.beta.-Hydroxyarteether9-a-Hydroxyarteether9-.beta.-HydroxyarteetherDTXSID10874991WFIMQBUUYYWZTM-UHFFFAOYSA-N10-Ethoxy-3,6,9-trimethyldecahydro-12H-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-7-ol130778-40-43,12-Epoxy-12H-pyrano(3,4-j)-1,2-benzodioxepin-7-ol, 10-ethoxydecahydro-3,6,9-trimethyl-, (3R-(3alpha,5abeta,6beta,7beta,8abeta,9alpha,10alpha,12beta,12aR*))-
Database identifiers
- CAS
130778-40-4、130855-38-8- PubChem CID
- 86227
- DTXSID
DTXSID10874991
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 472
Experimental & physicochemical properties
LogP2.14
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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