Taccalonolide B
Grundinformationen
- CAS
108885-69-4- Standard-SMILES
CC(=O)O[C@H]1[C@H]2[C@H]([C@@H]3[C@@H](O)[C@@H]4[C@H]([C@H](C)C=C5OC(=O)[C@@](C)(O)[C@@]54C)[C@@]3(C)[C@H]1OC(C)=O)[C@@H](O)C(=O)[C@H]1C[C@@H]3O[C@@H]3[C@H](OC(C)=O)[C@]21C- InChIKey
FFQOXBQSZPYHSA-MPOUNFKCSA-N- Summenformel
- C34H44O13
- Durchschnittliche Molmasse
- 660,7 g/mol
- Monoisotopische Masse
- 660,27819145
Überblick
Taccalonolide B has been reported in Tacca chantrieri and Tacca plantaginea with data available.
Namen und Bezeichner
- Bevorzugter Name
- Taccalonolide B
- IUPAC
- [(1S,2S,3R,5S,7S,9S,10R,11R,12S,13S,14R,15R,16S,17S,22S,23S,24R,25R)-10,14-diacetyloxy-3,22,25-trihydroxy-11,15,17,22,23-pentamethyl-4,21-dioxo-8,20-dioxaheptacyclo[13.10.0.02,12.05,11.07,9.016,24.019,23]pentacos-18-en-13-yl] acetate
- Englischer Name
- Taccalonolide B
- Summenformel
- C34H44O13
- Molmasse
- 660.71
Namen und Synonyme
Taccalonolide B108885-69-4[(1S,2S,3R,5S,7S,9S,10R,11R,12S,13S,14R,15R,16S,17S,22S,23S,24R,25R)-10,14-diacetyloxy-3,22,25-trihydroxy-11,15,17,22,23-pentamethyl-4,21-dioxo-8,20-dioxaheptacyclo[13.10.0.02,12.05,11.07,9.016,24.019,23]pentacos-18-en-13-yl] acetateMFCD30725005orb1219390orb1684185CHEMBL1821839SCHEMBL29357985FFQOXBQSZPYHSA-MPOUNFKCSA-NDTXSID601099963HY-N3028C34H44O13
Weitere Namen anzeigen
Rhizolactone BETaccalonolide B16,24-Cycloergost-22-en-26-oic acid, 1,11,12-tris(acetyloxy)-2,3-epoxy-7,15,23,25-tetrahydroxy-6-oxo-, γ-lactone, (1α,2α,3α,5α,7β,11α,12α,15α,16β,24β,25S)-(1alpha,2alpha,3alpha,5alpha,7beta,11alpha,12alpha,15alpha,16beta,24beta,25S)-1,11,12-Tris(acetyloxy)-2,3-epoxy-7,15,23,25-tetrahydroxy-6-oxo-16,24-cycloergost-22-en-26-oic acid gamma-lactone
LMST01160035TN2256AKOS037515196EBC-615579FS-7070DA-78160CS-0023035(1S,2S,3R,5S,7S,9S,10R,11R,12S,13S,14R,15R,16S,17S,22S,23S,24R,25R)-13,14-bis(acetyloxy)-3,22,25-trihydroxy-11,15,17,22,23-pentamethyl-4,21-dioxo-8,20-dioxaheptacyclo[13.10.0.0^{2,12}.0^{5,11}.0^{7,9}.0^{16,24}.0^{19,23}]pentacos-18-en-10-yl acetate
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 195 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 13
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 47
- Formalladung
- 0
- Komplexität
- 1.510
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Withanolides and derivatives [ST0116]
Physikochemische Eigenschaften
- Dichte
- 1.43 · 1.43±0.1 g/cm3 (20 ºC 760 Torr)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- Soluble in DMSO
- Aggregatzustand
- Solid
- Farbe
- White to off-white
- InChIKey
- FFQOXBQSZPYHSA-MPOUNFKCSA-N
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