Basic information
- CAS
20379-19-5- Standard SMILES
C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O)[C@H]1O[C@@H]21- InChIKey
TXOMRNMZLZXJQP-OQDMGONLSA-N- Molecular formula
- C20H22O7
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.13655304
Overview
Chasmanthin is an organic heterotricyclic compound and an organooxygen compound.
Names & identifiers
- Preferred name
- Chasmanthin
- IUPAC
- (1S,2S,3S,5R,8R,11R,12S,13S,15S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14,16-trioxapentacyclo[10.3.2.02,11.03,8.013,15]heptadecane-7,17-dione
- English name
- Chasmanthin
- Molecular formula
- C20H22O7
- Molecular weight
- 374.39
Names & synonyms
Chasmanthin20379-19-5(1S,2S,3S,5R,8R,11R,12S,13S,15S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14,16-trioxapentacyclo[10.3.2.02,11.03,8.013,15]heptadecane-7,17-dioneCHEMBL458613C09073CHEBI:3581DTXSID70331717Q27106143(2R,4aR,6aR,7S,7aS,8aS,9S,9aS,9bS)-2-(Furan-3-yl)-7-hydroxy-6a,9b-dimethyldodecahydro-4H-9,7-(epoxymethano)oxireno[6,7]naphtho[2,1-c]pyran-4,11-dione(2R,4aβ,7aα,8aα,9aα)-Dodecahydro-2α-(3-furyl)-7α-hydroxy-6aα,9bβ-dimethyl-9β,7-(epoxymethano)-4H-oxireno[6,7]naphtho[2,1-c]pyran-4,11-dione9,7-(Epoxymethano)-4H-oxireno[6,7]naphtho[2,1-c]pyran-4,11-dione, 2-(3-furanyl)dodecahydro-7-hydroxy-6a,9b-dimethyl-, (2R,4aR,6aR,7S,7aS,8aS,9S,9aS,9bS)-
Database identifiers
- CAS
20379-19-5- PubChem CID
- 442012
- DTXSID
DTXSID70331717- ChEMBL
CHEMBL458613- ChEBI
CHEBI:3581- Nikkaji
- J16.609J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 98.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 738
Physicochemical properties
- Melting point
- 265 °C · 265 °C
- Boiling point
- 600.6 · 600.6±55.0 °C(Predicted)
- Density
- 1.439 · 1.439±0.06 g/cm3(Predicted)
- pka
- 11.97 · 11.97±0.70(Predicted)
Chemistry & industry
Suppliers3 total
云南西力生物技术股份有限公司0871-65217109 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
Additional notes
DefinitionChEBI: Chasmanthin is an organic heterotricyclic compound and an organooxygen compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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