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Protohypericin

CAT: 1410-M21814-07Size: 200 mgDry Ice: NoHazardous: No
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CAT#:1410-M21814-07Size:200 mg
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Description
Protohypericin is a naturally occurring naphthodianthrone derived from plant Hypericum perforatum.
CAS Number
548-03-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
506.46
Molecular Formula
C₃₀H₁₈O₈
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Protohypericin

Protohypericin is a phenanthrol.

CAS Number548-03-8
PubChem CID164660
IUPAC Name9,11,13,16,18,20-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,8,10,12,14(28),15(27),16,18,20,23,25-tridecaene-7,22-dione
Molecular FormulaC30H18O8
Molecular Weight506.5
XLogP3.8
Topological Polar Surface Area156
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Heavy Atom Count38
Formal Charge0
Complexity1270
SMILES
CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C(=C5C6=CC(=CC(=O)C6=C(C7=C(C=C(C4=C57)O)O)O)C)C2=C1)O)O)O
InChI
InChI=1S/C30H18O8/c1-9-3-11-19(13(31)5-9)29(37)25-17(35)7-15(33)23-24-16(34)8-18(36)26-28(24)22(21(11)27(23)25)12-4-10(2)6-14(32)20(12)30(26)38/h3-8,33-38H,1-2H3
InChIKey
DPKVSJZTYNGFAW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Protohypericin
CAS: 548-03-8
CID: 164660
Formula: C30H18O8
MW: 506.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.5
XLogP33.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Exact Mass506.10016753
Monoisotopic Mass506.10016753
Topological Polar Surface Area156 Ų
Heavy Atom Count38
Formal Charge0
Complexity1270
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN2108-01Protohypericin
HY-N4139RProtohypericin (Standard)

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