Picrasane-1,16-dione, 11-(acetyloxy)-2-hydroxy-12-methoxy-, (2alpha,11alpha,12beta)-
Basic information
- CAS
33804-89-6- Standard SMILES
CO[C@H]1[C@H](C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)C[C@H](O)C(=O)[C@]4(C)[C@@H]([C@@H]1OC(C)=O)[C@@]32C- InChIKey
XTAVFXFXCFHNNF-SEMNJSAISA-N- Molecular formula
- C23H34O7
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.23045342
Overview
Picrasin C is a triterpenoid.
Names & identifiers
- Preferred name
- Picrasane-1,16-dione, 11-(acetyloxy)-2-hydroxy-12-methoxy-, (2alpha,11alpha,12beta)-
- IUPAC
- [(1S,2S,4S,6R,7S,9R,13S,14R,15S,16S,17S)-4-hydroxy-15-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] acetate
Names & synonyms
Picrasin C33804-89-6[(1S,2S,4S,6R,7S,9R,13S,14R,15S,16S,17S)-4-hydroxy-15-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] acetate((1S,2S,4S,6R,7S,9R,13S,14R,15S,16S,17S)-4-hydroxy-15-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo(7.7.1.02,7.013,17)heptadecan-16-yl) acetateRefChem:1095602Picrasane-1,16-dione, 11-(acetyloxy)-2-hydroxy-12-methoxy-, (2alpha,11alpha,12beta)-Nigakilactone JC08776CHEBI:8203DTXSID10955390Picrasan-1,16-dione, 11-(acetyloxy)-2-hydroxy-12-methoxy-, (2alpha,11alpha,12beta)-Q27107940
Show more names
2-Hydroxy-12-methoxy-1,16-dioxopicrasan-11-yl acetate2alpha-Hydroxy-12beta-methoxy-1,16-dioxopicrasan-11alpha-yl acetate
Database identifiers
- CAS
33804-89-6
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 765
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Compound notes
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