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Darutigenol

CAT: 0013-GTR19158745-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158745-02Size:200 mg
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Description
Darutigenol has obvious antithrombotic effect, its mechanism may be related to inhibition of platelet aggregation and adhesion.
CAS Number
5940-00-1
Purity
>98% (HPLC)
Smiles
C[C@@]1 (CC[C@@H]2C (=C1) CC[C@H]1[C@]2 (CC[C@H] (C1 (C) C) O) C) [C@H] (CO) O
Molecular Formula
C20H34O3
Molecular Weight
322.49
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Darutigenol

(1R)-1-[(2S,4aR,4bS,7R,8aS)-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol has been reported in Wollastonia biflora, Sigesbeckia orientalis, and Palafoxia arida with data available.

CAS Number5940-00-1
PubChem CID3037565
IUPAC Name(1R)-1-[(2S,4aR,4bS,7R,8aS)-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol
Molecular FormulaC20H34O3
Molecular Weight322.5
XLogP3.2
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity497
SMILES
C[C@@]1(CC[C@@H]2C(=C1)CC[C@H]3[C@]2(CC[C@H](C3(C)C)O)C)[C@H](CO)O
InChI
InChI=1S/C20H34O3/c1-18(2)15-6-5-13-11-19(3,17(23)12-21)9-7-14(13)20(15,4)10-8-16(18)22/h11,14-17,21-23H,5-10,12H2,1-4H3/t14-,15-,16-,17+,19+,20+/m1/s1
InChIKey
NCAZLDCEJHFJDT-KHKZNYETSA-N
Chemical Structure
2D Structure
2D structure of Darutigenol
CAS: 5940-00-1
CID: 3037565
Formula: C20H34O3
MW: 322.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.5
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass322.25079494
Monoisotopic Mass322.25079494
Topological Polar Surface Area60.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity497
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
TB00531Darutigenol

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