Basic information
- CAS
34198-79-3- Standard SMILES
CC(CO)[C@H]1OC(=O)C=C2[C@@]13O[C@@H]3[C@H]1OC(=O)[C@@]3(C)[C@H]4O[C@H]4C[C@@]2(C)[C@@H]13- InChIKey
HFEAHCITXGPGJQ-BDCUKGRPSA-N- Molecular formula
- C19H22O7
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.13655304
Overview
norditerpene lactone isolated from Podocarpus hallii with potential activity against development in housefly; structure
Names & identifiers
- Preferred name
- Sellowin A
- IUPAC
- (1S,2R,4R,5R,10S,12S,14R,15R,18R)-5-(1-hydroxypropan-2-yl)-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.02,4.04,9.012,14.015,18]octadec-8-ene-7,16-dione
- English name
- (2S,3R)-1-O,2-Seco-1,3,15-trideoxy-2,3-epoxypodolactone B
- Molecular formula
- C19H22O7
- Molecular weight
- 362.37378
Names & synonyms
Sellowin A34198-79-3M2CE7HV9NTNSC-329488RefChem:182329(14 xi)-3,15-dideoxypodolactone BNSC329488(1S,2R,4R,5R,10S,12S,14R,15R,18R)-5-(1-hydroxypropan-2-yl)-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.02,4.04,9.012,14.015,18]octadec-8-ene-7,16-dione(14xi)-3,15-Dideoxypodolactone BNSC 329488UNII-M2CE7HV9NTCHEMBL1981967
Show more names
(2S,3R)-1-O,2-Seco-1,3,15-trideoxy-2,3-epoxypodolactone B
SCHEMBL29709891DTXSID80955741NCI60_002880c030629(2-hydroxy-1-methyl-ethyl)-dimethyl-[?]dionePODOLACTONE B, 1,2-DEEPOXY-3,15-DIDEOXY-2,3-EPOXY-, (2.BETA.,3.BETA.)-(4R,4aR,5aR,5bS,5cR,7aR,7bR,8aS,9aS)-4-(1-Hydroxypropan-2-yl)-7a,9a-dimethyl-5a,5b,5c,7a,7b,8a,9,9a-octahydro-2H,4H,7H-furo[2',3',4':4,5]bisoxireno[2,3:6,7]naphtho[2,1-c]pyran-2,7-dione2H,4H,7H-OXIRENO(I)OXIRENO(4,5)ISOBENZOFURO(7,1-FG)(2)BENZOPYRAN-2,7-DIONE, 5A,5B,5C,7A,7B,8A,9,9A-OCTAHYDRO-4-(2-HYDROXY-1-METHYLETHYL)-7A,9A-DIMETHYL-, (4R,4AR,5AR,5BS,5CR,7AR,7BR,8AS,9AS)-
Database identifiers
- CAS
34198-79-3
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 791
Physicochemical properties
- FDA UNII
- 2 CE7HV9NT · M2CE7HV9NT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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