Picrasin D
Basic information
- CAS
33204-37-4- Standard SMILES
COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@@H](C)[C@@H]5OCO[C@H]5[C@H]([C@@]2(C)C1=O)[C@@]34C- InChIKey
GNPWDPZTRHBTJY-FSJNFLCUSA-N- Molecular formula
- C22H30O6
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.20423867
Overview
Picrasin D has been reported in Picrasma quassioides with data available.
Names & identifiers
- Preferred name
- Picrasin D
- IUPAC
- (1S,2S,6S,7R,8S,12R,14S,15S,19S,20S)-17-methoxy-7,15,19,20-tetramethyl-3,5,11-trioxapentacyclo[10.7.1.02,6.08,20.014,19]icos-16-ene-10,18-dione
- English name
- PICRASIN-D
- Molecular formula
- C22H30O6
- Molecular weight
- 390.47
Names & synonyms
Picrasin D33204-37-4PICRASIN-DCHEMBL4536816DTXSID40954811(3aS,4R,4aS,7aR,7bS,8aS,9S,12aS,12bS,12cS)-11-Methoxy-4,7b,9,12a-tetramethyl-3a,4a,7a,7b,8,8a,9,12a,12b,12c-decahydro-2H-[1,3]dioxolo[3,4]phenanthro[10,1-bc]pyran-6,12(4H,5H)-dione11-Methoxy-4,7b,9,12a-tetramethyl-3a,4a,7a,7b,8,8a,9,12a,12b,12c-decahydro-2H-[1,3]dioxolo[3,4]phenanthro[10,1-bc]pyran-6,12(4H,5H)-dione2-Methoxy-11α,12β-[methylenebis(oxy)]picras-2-ene-1,16-dione
Database identifiers
- CAS
33204-37-4- PubChem CID
- 182115
- DTXSID
DTXSID40954811- ChEMBL
CHEMBL4536816- Nikkaji
- J28.625G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 760
Chemistry & industry
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Related reactions
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Compound notes
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