Basic information
- CAS
469-39-6- Standard SMILES
C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C- InChIKey
HUNLTIZKNQDZEI-PGFZVWMDSA-N- Molecular formula
- C30H50O
- Average molar mass
- 426.7 g/mol
- Monoisotopic mass
- 426.38616621
Overview
Cycloeucalenol is a pentacyclic triterpenoid, a member of phytosterols and a 3beta-sterol. It derives from a hydride of a 5alpha-ergostane.
Names & identifiers
- Preferred name
- Cycloeucalenol
- IUPAC
- (1S,3R,6S,7S,8S,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
- English name
- cycloleucalenol
- Molecular formula
- C30H50O
- Molecular weight
- 426.73
Names & synonyms
Cycloeucalenol469-39-6Cycloleucalenol3beta-Cycloeucalenol7OF1Q9UE9R(1S,3R,6S,7S,8S,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol4alpha,14-dimethyl-9beta,19-cyclo-5alpha-ergost-24(28)-en-3beta-olCHEBI:16653DTXSID709636933beta,4alpha,5alpha-4,14-dimethyl-9,19-cycloergost-24(28)-en-3-ol9,19-Cycloergost-24(28)-en-3-ol, 4,14-dimethyl-, (3beta,4alpha,5alpha)-(1S,3R,6S,7S,8S,11S,12S,15R,16R)-7,12,16-trimethyl-15-((2R)-6-methyl-5-methylideneheptan-2-yl)pentacyclo(9.7.0.01,3.03,8.012,16)octadecan-6-ol
Show more names
Cycloeucalel9,19-Cycloergost-24(28)-en-3-ol,4,14-dimethyl-, (3b,4a,5a)-9,19-Cycloergost-24(28)-en-3-ol, 4,14-dimethyl-, (3β,4α,5α)-(2aR,3R,5aS,5bS,7aS,8S,9S,11aR,12aS)-2a,5a,8-Trimethyl-3-((R)-6-methyl-5-methyleneheptan-2-yl)hexadecahydrocyclopenta[a]cyclopropa[e]phenanthren-9-ol
RefChem:129474DTXCID001391432UNII-7OF1Q9UE9R3|?-CycloeucalenolSCHEMBL5692613.BETA.-CYCLOEUCALENOLCHEMBL225634orb1682864
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 739
Experimental & physicochemical properties
LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Cycloartanols and derivatives [ST0110]
Physicochemical properties
- Melting point
- 140 °C · 140 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 508 · 508.0±19.0 °C(Predicted)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- pka
- 15.12 · 15.12±0.70(Predicted)
- form
- Solid
- color
- White to off-white
- LogP
- 10.54 · 10.540 (est)
- FDA UNII
- 7 OF1Q9UE9R · 7OF1Q9UE9R
- Symbol(GHS)
- 6 · GHS06,GHS08,GHS02
- Signal word
- Danger
- Hazard statements
- 310 · H310-H301-H319-H371-H226
- Precautionary statements
- 501 · P501-P260-P270-P262-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P308+P311-P361+P364-P303+P361+P353-P301+P310+P330-P403+P235-P405
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08,GHS02
- Hazard statements
- H310-H301-H319-H371-H226
- Precautionary statements
- P501-P260-P270-P262-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P308+P311-P361+P364-P303+P361+P353-P301+P310+P330-P403+P235-P405
Chemistry & industry
Applications
UsesCycloeucalenol is a triterpenoid compound derived from Eucalyptus microcorys[1].
Suppliers38 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
ALB Technology Limited702-983-3769 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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