Basic information
- CAS
125184-93-2- Standard SMILES
CC1=C[C@H]2[C@@H](CC1)[C@H](C)CC[C@H]2[C@@H](C)C=O- InChIKey
PIUSZJFEZXYOAT-QTVXIADOSA-N- Molecular formula
- C15H24O
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.18271539
Overview
(11R)-dihydroartemisinic aldehyde is a sesquiterpenoid aldehyde, an intermedediate and reduction product from artemisinic aldehyde in the biosynthesis of artemisinin from artemisinic alcohol in Artemisia annua. It is a member of octahydronaphthalenes, an aldehyde and a sesquiterpenoid. It is functionally related to an artemisinic aldehyde.
Names & identifiers
- Preferred name
- (11R)-dihydroartemisinic aldehyde
- IUPAC
- (2R)-2-[(1R,4R,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanal
- English name
- (11R)-dihydroartemisinic aldehyde
- Molecular formula
- C15H24O
- Molecular weight
- 220.35
Names & synonyms
(11R)-dihydroartemisinic aldehydedihydroartemisinic aldehyde125184-93-2(2R)-2-[(1R,4R,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanaldihydroartemisinyl aldehyde(11R)-dihydroartemisic aldehydeCHEMBL5169967SCHEMBL29488559CHEBI:64691PIUSZJFEZXYOAT-QTVXIADOSA-NDTXSID701124149C20325
Show more names
1-Naphthaleneacetaldehyde, 1,2,3,4,4a,5,6,8a-octahydro-α,4,7-trimethyl-, (αR,1R,4R,4aS,8aS)-
Q27133381(|AR,1R,4R,4aS,8aS)-1,2,3,4,4a,5,6,8a-Octahydro-|A,4,7-trimethyl-1-naphthaleneacetaldehyde(I+/-R,1R,4R,4aS,8aS)-1,2,3,4,4a,5,6,8a-Octahydro-I+/-,4,7-trimethyl-1-naphthaleneacetaldehyde
Database identifiers
- CAS
125184-93-2- PubChem CID
- 10857031
- DTXSID
DTXSID701124149- ChEMBL
CHEMBL5169967- ChEBI
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 307.4 · 307.4±11.0 °C(Predicted)
- Density
- 0.921 · 0.921±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers4 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
Additional notes
DefinitionChEBI: (11R)-dihydroartemisinic aldehyde is a sesquiterpenoid aldehyde, an intermedediate and reduction product from artemisinic aldehyde in the biosynthesis of artemisinin from artemisinic alcohol in Artemisia annua. It is a sesquiterpenoid, an aldehyde and a member of octahydronaphthalenes. It is functionally related to an artemisinic aldehyde.
Related reactions
1 records
Compound notes
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