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15-Epi-Danshenol-A

CAT: 0013-GTR19155323Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155323Size:5 mg
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Description
15-Epi-Danshenol-A is a compound with a purity of > 98%, a CAS number of 216987-13-2, and a molecular weight of 336.4.
CAS Number
216987-13-2
Field of Research
Cell Biology
Purity
> 98%
Molecular Formula
C21H20O4
Molecular Weight
336.4
Notes
For research use only.
Applications Notes
Diterpenoids

Chemical Information

15-Epi-Danshenol-A

15-Epi-Danshenol-A has been reported in Salvia przewalskii, Salvia trijuga, and Salvia yunnanensis with data available.

CAS Number216987-13-2
PubChem CID102004790
IUPAC Name(1S,10S)-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1,2-dihydronaphtho[1,2-g][1]benzofuran-11-one
Molecular FormulaC21H20O4
Molecular Weight336.4
XLogP3
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity636
SMILES
C[C@@H]1COC2=C1C(=O)[C@@](C3=C2C=CC4=C(C=CC=C43)C)(CC(=O)C)O
InChI
InChI=1S/C21H20O4/c1-11-5-4-6-15-14(11)7-8-16-18(15)21(24,9-13(3)22)20(23)17-12(2)10-25-19(16)17/h4-8,12,24H,9-10H2,1-3H3/t12-,21+/m1/s1
InChIKey
WQYKPUPMMFGHQW-GTJPDFRWSA-N
Chemical Structure
2D Structure
2D structure of 15-Epi-Danshenol-A
CAS: 216987-13-2
CID: 102004790
Formula: C21H20O4
MW: 336.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass336.13615911
Monoisotopic Mass336.13615911
Topological Polar Surface Area63.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity636
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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T125334-0115-Epi-Danshenol-A
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