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Sterebin A

CAT: 1410-M31858-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M31858-02Size:5 mg
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Description
Sterebin A may have anti-inflammatory activity.
CAS Number
107647-14-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
310.43
Molecular Formula
C18H30O4
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

(3E)-4-((1R,2S,3S,4R,4aS,8aS)-Decahydro-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl)-3-buten-2-one

Sterebin A is a sesquiterpenoid.

CAS Number107647-14-3
PubChem CID21681091
IUPAC Name(E)-4-[(1R,2S,3S,4R,4aS,8aS)-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one
Molecular FormulaC18H30O4
Molecular Weight310.4
XLogP2.1
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity483
SMILES
CC(=O)/C=C/[C@@H]1[C@]2(CCCC([C@@H]2[C@H]([C@@H]([C@@]1(C)O)O)O)(C)C)C
InChI
InChI=1S/C18H30O4/c1-11(19)7-8-12-17(4)10-6-9-16(2,3)14(17)13(20)15(21)18(12,5)22/h7-8,12-15,20-22H,6,9-10H2,1-5H3/b8-7+/t12-,13-,14+,15+,17-,18+/m1/s1
InChIKey
GUVJPXABQYFWPD-JOSLJWRDSA-N
Chemical Structure
2D Structure
2D structure of (3E)-4-((1R,2S,3S,4R,4aS,8aS)-Decahydro-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl)-3-buten-2-one
CAS: 107647-14-3
CID: 21681091
Formula: C18H30O4
MW: 310.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.4
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass310.21440943
Monoisotopic Mass310.21440943
Topological Polar Surface Area77.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity483
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-S213270-5MGSterebin A
PEA34374-01Sterebin E
HY-N12241Sterebin F
XS170488-01Sterebin A - Stevia rebaudiana

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