4H,9H-Furo[2′,3′,4′:4,5]naphtho[2,1-c]pyran-4,9-dione, 1,2,3,3a,5a,6,10b,10c-octahydro-1,2,6-trihydroxy-3a,10b-dimethyl-7-(1-methylethyl)-, (1S,2R,3aS,5aS,6R,10bS,10cR)-
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Grundinformationen
- CAS
19891-51-1- Standard-SMILES
CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)C[C@@H](O)[C@@H](O)[C@@]2(C)[C@@H]13- InChIKey
AEGWYWSJGKOLGB-ZLNDBNLZSA-N- Summenformel
- C19H24O7
- Durchschnittliche Molmasse
- 364,394 g/mol
- Monoisotopische Masse
- 364,15220311
Namen und Bezeichner
- Bevorzugter Name
- 4H,9H-Furo[2′,3′,4′:4,5]naphtho[2,1-c]pyran-4,9-dione, 1,2,3,3a,5a,6,10b,10c-octahydro-1,2,6-trihydroxy-3a,10b-dimethyl-7-(1-methylethyl)-, (1S,2R,3aS,5aS,6R,10bS,10cR)-
- IUPAC
- (1S,2R,3aS,6R,10bS,10cR)-1,2,6-Trihydroxy-3a,10b-dimethyl-7-(propan-2-yl)-1,2,3,3a,5a,6,10b,10c-octahydro-4H,9H-furo[2',3',4':4,5]naphtho[2,1-c]pyran-4,9-dione
- Englischer Name
- (1S)-1,2,3,3a,5aβ,6,10b,10cβ-Octahydro-1,2α,6α-trihydroxy-3aβ,10bα-dimethyl-7-isopropyl-4H,9H-furo[2',3',4':4,5]naphtho[2,1-c]pyran-4,9-dione
- Summenformel
- C19H24O7
- Molmasse
- 364.39
Namen und Synonyme
Nagilactone B(1S)-1,2,3,3a,5aβ,6,10b,10cβ-Octahydro-1,2α,6α-trihydroxy-3aβ,10bα-dimethyl-7-isopropyl-4H,9H-furo[2',3',4':4,5]naphtho[2,1-c]pyran-4,9-dione4H,9H-Furo[2',3',4':4,5]naphtho[2,1-c]pyran-4,9-dione, 1,2,3,3a,5a,6,10b,10c-octahydro-1,2,6-trihydroxy-3a,10b-dimethyl-7-(1-methylethyl)-, (1S,2R,3aS,5aS,6R,10bS,10cR)-
Datenbank-Bezeichner
- CAS
19891-51-1- PubChem CID
- 3084329
- DTXSID
DTXSID00173667- ChEMBL
CHEMBL4205628- UNII
- 9E3CP5SX7S
- Nikkaji
- J15.865H
Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 258 · 258-261℃
- Siedepunkt
- 644.6 · 644.6±55.0 °C(Predicted)
- Dichte
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- Soluble in DMSO
- Aggregatzustand
- Solid
- pka
- 12.23 · 12.23±0.70(Predicted)
- Farbe
- White to off-white
Chemie und Industrie
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