Diasesartemin-(+)
Basic information
- CAS
77449-33-3- Standard SMILES
COc1cc([C@@H]2OC[C@H]3[C@@H]2CO[C@H]3c2cc(OC)c3c(c2)OCO3)cc(OC)c1OC- InChIKey
DHWUVPPRBIJJKS-PBFVBANWSA-N- Molecular formula
- C23H26O8
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.16276778
Overview
Diasesartemin-(+) has been reported in Hernandia guianensis, Hernandia ovigera, and Artemisia absinthium with data available.
Names & identifiers
- Preferred name
- Diasesartemin-(+)
- IUPAC
- 6-[(3R,3aR,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole
Names & synonyms
(+)-DiasesartemindiasesarteminDIASESARTEMIN-(+)77449-33-3NSC380471NSC 380471CHEMBL4533011,3-Benzodioxole, 4-methoxy-6-(tetrahydro-4-(3,4,5-trimethoxyphenyl)-1H,3H-furo(3,4-c)furan-1-yl)-, (1R-(1alpha,3abeta,4alpha,6abeta))-6-[(3R,3aR,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole
Database identifiers
- CAS
77449-33-3- PubChem CID
- 73118
- ChEMBL
CHEMBL453301
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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