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Bisabolol Oxide B

CAT: 0572-TRC-B399800-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B399800-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26184-88-3
Synonyms
(2S,5S)-Tetrahydro-alpha,alpha,5-trimethyl-5-[(1S)-4-methyl-3-cyclohexen-1-yl]-2-furanmethanol; (-)-Bisabolol Oxide B; (-)-alpha-Bisabolol Oxide B; Bisabolol Oxide II; alpha-Bisabolol Oxide B
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CC1=CC[C@H](CC1)[C@]2(C)CC[C@H](O2)C(C)(C)O
Molecular Formula
C15H26O2
Molecular Weight
238.37
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(-)-alpha-Bisabolol oxide B

(-)-bisabolol oxide b has been reported in Matricaria chamomilla with data available.

CAS Number26184-88-3
PubChem CID91865027
IUPAC Name2-[(2S,5S)-5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]oxolan-2-yl]propan-2-ol
Molecular FormulaC15H26O2
Molecular Weight238.37
XLogP2.5
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity319
SMILES
CC1=CC[C@H](CC1)[C@@]2(CC[C@H](O2)C(C)(C)O)C
InChI
InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(17-15)14(2,3)16/h5,12-13,16H,6-10H2,1-4H3/t12-,13+,15+/m1/s1
InChIKey
RKBAYVATPNYHLW-IPYPFGDCSA-N
Chemical Structure
2D Structure
2D structure of (-)-alpha-Bisabolol oxide B
CAS: 26184-88-3
CID: 91865027
Formula: C15H26O2
MW: 238.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.37
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass238.193280068
Monoisotopic Mass238.193280068
Topological Polar Surface Area29.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity319
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BBA18488-01Bisabolol oxide B
HY-N8117RBisabolol oxide A (Standard)
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OR1026979-01(±) -a-Bisabolol
sc-227155(-) -α-Bisabolol
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