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Teuclatriol

CAT: 0926-CGA11017-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-CGA11017-01Size:1 mg
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CAS Number
152110-17-3
MDL Number
MFCD20261061
Smiles
CC (C) C1CCC (C2CCC (C2C1O) (C) O) (C) O
Molecular Formula
C15H28O3
Molecular Weight
256.38 g/mol
Controlled
No

Chemical Information

Teuclatriol

(1S,3aR,4R,7S,8R,8aR)-7-isopropyl-1,4-dimethyl-octahydroazulene-1,4,8-triol has been reported in Lepechinia urbanii, Teucrium leucocladum, and Acorus calamus with data available.

CAS Number152110-17-3
PubChem CID91884970
IUPAC Name(1S,3aR,4R,7S,8R,8aR)-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4,8-triol
Molecular FormulaC15H28O3
Molecular Weight256.38
XLogP1.8
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity317
SMILES
CC(C)[C@@H]1CC[C@@]([C@@H]2CC[C@]([C@H]2[C@@H]1O)(C)O)(C)O
InChI
InChI=1S/C15H28O3/c1-9(2)10-5-7-14(3,17)11-6-8-15(4,18)12(11)13(10)16/h9-13,16-18H,5-8H2,1-4H3/t10-,11+,12+,13+,14+,15-/m0/s1
InChIKey
CXQOZINRAFPQEX-QFEQQRJNSA-N
Chemical Structure
2D Structure
2D structure of Teuclatriol
CAS: 152110-17-3
CID: 91884970
Formula: C15H28O3
MW: 256.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.38
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass256.20384475
Monoisotopic Mass256.20384475
Topological Polar Surface Area60.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity317
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5763215Teuclatriol

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