Spathulenol
Grundinformationen
- CAS
6750-60-3- Standard-SMILES
C=C1CC[C@@H]2[C@H]([C@H]3[C@H]1CC[C@]3(C)O)C2(C)C- InChIKey
FRMCCTDTYSRUBE-BGPZULBFSA-N- Summenformel
- C15H24O
- Durchschnittliche Molmasse
- 220,35 g/mol
- Monoisotopische Masse
- 220,18271539
Überblick
Spathulenol is a tricyclic sesquiterpenoid that is 4-methylidenedecahydro-1H-cyclopropa[e]azulene carrying three methyl substituents at positions 1, 1 and 7 as well as a hydroxy substituent at position 7. It has a role as a volatile oil component, a vasodilator agent, an anaesthetic and a plant metabolite. It is a sesquiterpenoid, a tertiary alcohol, a carbotricyclic compound and an olefinic compound.
Namen und Bezeichner
- Bevorzugter Name
- Spathulenol
- IUPAC
- (1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol
- Englischer Name
- SPATHULENOL
- Summenformel
- C15H24O
- Molmasse
- 220.35
Namen und Synonyme
Spathulenol6750-60-3(+)-Spathulenol7XV9L96SJJCHEBI:132824(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-olDTXSID00881210(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa(h)azulen-7-olRefChem:484731,7,7-trimethyl-4-methylidene-decahydro-1H-cyclopropa(e)azulen-1-olDTXCID601022491espatulenol
Weitere Namen anzeigen
1H-Cycloprop(e)azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, (1aR-(1aalpha,4aalpha,7beta,7abeta,7balpha))-Spathulrnol(1aR,4aβ,7aα,7bβ)-Decahydro-1,1,7-trimethyl-4-methylene-1H-cycloprop[e]azulen-7α-olSpathulelspathulenol,(+)-spathulenol,espatulenol(1aR,4aR,7S,7aR,7bR)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, (1aR,4aR,7S,7aR,7bR)-
SpatulenolUNII-7XV9L96SJJsphatulenolSpathulenol?SCHEMBL309962decahydro-1,1,7-trimethyl-4-methylene-1h-cycloprop[e]azulen-7-olCHEMBL518542orb1684200
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 343
Experimentelle und physikochemische Eigenschaften
Boiling Point296.00 to 298.00 °C. @ 760.00 mm Hg
Physikochemische Eigenschaften
- Siedepunkt
- 284.7 °C · 284.7 °C
- Dichte
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- pka
- 15.1 · 15.10±0.40(Predicted)
- Aggregatzustand
- Liquid
- Farbe
- Colorless to light yellow
- Geruch (Odor)
- 100 % · at 100.00 %. earthy herbal fruity
- Geruchsart
- earthy
- InChI
- InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12+,13+,15-/m0/s1
- InChIKey
- FRMCCTDTYSRUBE-BGPZULBFSA-N
- SMILES
- C1[C@]2([H])[C@]([H])([C@]3([H])C(C)(C)[C@]3([H])CCC2=C)[C@@](C)(O)C1
- LogP
- 4.406 · 4.406 (est)
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Anbieter65 Anbieter
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…