Basic information
- CAS
19912-62-0- Standard SMILES
CC1=C[C@H]2[C@H](C(C)C)CC[C@](C)(O)[C@H]2CC1- InChIKey
LHYHMMRYTDARSZ-AJNGGQMLSA-N- Molecular formula
- C15H26O
- Average molar mass
- 222.37 g/mol
- Monoisotopic mass
- 222.19836545
Overview
(-)-Tau-muurolol is a cadinane sesquiterpenoid that consists of 4-isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene having a hydroxy substituent at position 1 and (1S,4S,4aR,8aS)-configuration. It has a role as a fungicide, a volatile oil component, a marine metabolite, a plant metabolite and a bacterial metabolite. It is a member of octahydronaphthalenes, a cadinane sesquiterpenoid, a tertiary alcohol and a carbobicyclic compound. It is an enantiomer of a (+)-Tau-muurolol.
Names & identifiers
- Preferred name
- epi-alpha-Muurolol
- IUPAC
- (1S,4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
- English name
- T-muurolol
- Molecular formula
- C15H26O
- Molecular weight
- 222.37
Names & synonyms
T-Muurolol19912-62-0epi-alpha-Muurolol(1S,4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-olDTXSID10173698RefChem:921010DTXCID1096189(-)-T-MuurololMuurolol1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S-(1alpha,4alpha,4aalpha,8aalpha))-.tau.-Muurololtau-Muurolol
Show more names
Τ-Muurololepi-α-Muurolol(1S)-1,6-Dimethyl-4β-isopropyl-1,2,3,4,4aβ,7,8,8aβ-octahydronaphthalene-1β-ol1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S,4S,4aR,8aS)-
Muurolol TT-MuuroloIalpha-epi-muurolol(-)-tau-muurololalpha-muurolol, epi-.alpha.-epi-Muurololepi-.alpha.-Muurolol10-epi-alpha-muurolol
Database identifiers
- CAS
19912-62-0- PubChem CID
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Melting point
- 78.5 · 78.5-80 °C
- Boiling point
- 303.4 · 303.4±31.0 °C(Predicted)
- Density
- 0.937 · 0.937±0.06 g/cm3(Predicted)
- pka
- 15.05 · 15.05±0.60(Predicted)
- form
- Solid
- color
- Off-white to light yellow
- Odor
- 100 % · at 100.00 %. herbal spicy honey
- Odor Type
- herbal
- LogP
- 4.945 · 4.945 (est)
Chemistry & industry
Applications
UsesT-Muurolol is a sesquiterpene and can be isolated from Streptomyces sp. M491[1].
Suppliers8 total
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]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
成都普瑞法科技开发有限公司+86-28-82633860; +86-18080483897 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: (-)-Tau-muurolol is a cadinane sesquiterpenoid that consists of 4-isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene having a hydroxy substituent at position 1 and (1S,4S,4aR,8aS)-configuration. It has a role as a plant metabolite, a fungicide, a volatile oil component, a marine metabolite and a bacterial metabolite. It is a cadinane sesquiterpenoid, a carbobicyclic compound, a tertiary alcohol and a member of octahydronaphthalenes. It is an enantiomer of a (+)-Tau-muurolol.
Related reactions
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Compound notes
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