[(1S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-Trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (2S)-2-hydroxy-2-methylbutanoate
Grundinformationen
- CAS
1259-86-5- Standard-SMILES
CC[C@](C)(O)C(=O)O[C@H]1C(=O)O[C@@H]2C[C@H]3C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@H]3C4(O)OC[C@]32[C@@H]1[C@@H](C)[C@H]4O- InChIKey
WRBGCYVAJRRQKP-OKWDTJBHSA-N- Summenformel
- C25H34O10
- Durchschnittliche Molmasse
- 494,5 g/mol
- Monoisotopische Masse
- 494,21519728
Überblick
See also: Glaucarubinone (annotation moved to).
Namen und Bezeichner
- Bevorzugter Name
- [(1S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-Trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (2S)-2-hydroxy-2-methylbutanoate
- IUPAC
- [(1S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (2S)-2-hydroxy-2-methylbutanoate
- Englischer Name
- glaucarubinone
- Summenformel
- C25H34O10
- Molmasse
- 494.53
Namen und Synonyme
NSC 277286NSC132791NSC 132791[(1S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-Trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (2S)-2-hydroxy-2-methylbutanoateButyric acid, 2-hydroxy-2-methyl-, 4-ester with 1,3abeta,4,7,7aalpha,11,11a,11balpha-octahydro-1alpha,2alpha,4beta,11beta-tetrahydroxy-3alpha,8,11abeta-trimethyl-2H-1,11cbeta-(epoxymethano)phenanthro(10,1-bc)pyran-5,10(3H,6abetaH)-dionePicras-3-ene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-(2-hydroxy-2-methyl-1-oxobutoxy)-, (1beta,11beta,12alpha,15beta(S))-Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-[(2S)-2-hydroxy-2-methyl-1-oxobutoxy]-, (1beta,11beta,12alpha,15beta)-(+)-Glaucarubinoneglaucarubinone2,16-Dioxo-11β,20-epoxypicrasa-3-ene-1β,11,12α,15β-tetrol 15-[(2S)-2-hydroxy-2-methylbutanoate]11β,20-Epoxy-1β,11,12α-trihydroxy-15β-[(S)-2-hydroxy-2-methyl-1-oxobutoxy]picras-3-ene-2,16-dionePicras-3-ene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-[(2S)-2-hydroxy-2-methyl-1-oxobutoxy]-, (1β,11β,12α,15β)- (9CI)
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 160 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 35
- Formalladung
- 0
- Komplexität
- 1.020
Physikochemische Eigenschaften
- Schmelzpunkt
- 228 · 228-230 °C
- Siedepunkt
- 714.1 · 714.1±60.0 °C(Predicted)
- Dichte
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 11.63 · 11.63±0.70(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to off-white
Chemie und Industrie
Anbieter6 Anbieter
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…