12-Deoxyphorbol 13-phenylacetate 20-acetate
Grundinformationen
- CAS
54662-30-5- Standard-SMILES
CC(=O)OCC1=C[C@H]2[C@@H]3C(C)(C)[C@]3(OC(=O)Cc3ccccc3)C[C@@H](C)[C@]2(O)[C@@H]2C=C(C)C(=O)[C@@]2(O)C1- InChIKey
MEDVHSNRBPAIPU-XMOZQXTISA-N- Summenformel
- C30H36O7
- Durchschnittliche Molmasse
- 508,6 g/mol
- Monoisotopische Masse
- 508,24610349
Namen und Bezeichner
- Bevorzugter Name
- 12-Deoxyphorbol 13-phenylacetate 20-acetate
- IUPAC
- [(1R,2S,6R,10S,11R,13S,15R)-8-(acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-phenylacetate
- Englischer Name
- 12-Deoxyphorbol 13-phenylacetate 20-acetate
- Summenformel
- C30H36O7
- Molmasse
- 508.6
Namen und Synonyme
54662-30-512-DEOXYPHORBOL 13-PHENYLACETATE 20-ACETATE12-Deoxyphorbolphenylacetate-20-acetate12-DOPPAARefChem:78172[(1R,2S,6R,10S,11R,13S,15R)-8-(acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-phenylacetate12-Deoxyphorbol-13-phenylacetate-20-acetateDTXSID20969948MEDVHSNRBPAIPU-XMOZQXTISA-NCHEMBL1395147SCHEMBL29361466dPPA, >=98% (HPLC)
Weitere Namen anzeigen
12-DPPAA3-acetate9a-phenylacetate12-Deoxyphorbol 13-phenylacate 20-acetate(1aR)-3-(Acetyloxymethyl)-1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aβ,7bα-dihydroxy-1,1,6,8α-tetramethyl-9aα-[(phenylacetyl)oxy]-5H-cyclopropa[3,4]benz[1,2-e]azulen-5-one
CCG-208193NCGC00163537-015H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-4a-beta,7b-alpha,9a-alpha-trihydroxy-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-, 3-acetate 9a-phenylacetateBenzeneacetic acid ,(1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl esterSR-05000002352SR-05000002352-2(acetoxymethyl-dihydroxy-tetramethyl-oxo-[?]yl) 2-phenylacetate(1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-[(Acetyloxy)methyl]-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl phenylacetate
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 110 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 37
- Formalladung
- 0
- Komplexität
- 1.070
Physikochemische Eigenschaften
- Siedepunkt
- 556.46 °C · 556.46°C (rough estimate)
- Dichte
- 1.0979 · 1.0979 (rough estimate)
- Brechungsindex
- 1.681 · 1.6810 (estimate)
- storage temp.
- -20 °C · -20°C
- Aggregatzustand
- oil
- Farbe
- colorless to light yellow
- InChIKey
- MEDVHSNRBPAIPU-XMOZQXTISA-N
- SMILES
- CC(C1=O)=C[C@]2([H])[C@]1(O)CC(COC(C)=O)=C[C@]3([H])[C@]2(O)[C@H](C)C[C@]4(OC(CC5=CC=CC=C5)=O)[C@H]3C4(C)C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 26/27/28-36/37/38
- hazard_code
- T+
- safety_code
- 26-27-36/37/39-45
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 2 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anbieter4 Anbieter
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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