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Rhuscholide A

Rhuscholide A structure

CAS No:
944804-58-4
Formula:
C31H42O3
Chemical Name:
Rhuscholide A
Synonyms:
Rhuscholide A
Categories:
Natural Products > Phenols

Description

Rhuscholide A is a member of the class of 1-benzofurans that is 1-benzofuran-2(3H)-one substituted by a hydroxy group at position 5, a propan-2-ylidene group at position 3 and a (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl group at position 7. Isolated from Rhus chinensis, it exhibits anti-HIV activity. It has a role as a metabolite and an anti-HIV-1 agent. It is a member of 1-benzofurans, a gamma-lactone and a member of phenols.

Rhuscholide A Basic Attributes

Molecular Weight：

462.66338

Exact Mass：

462.313385

Characteristics

PSA：

46.5

XLogP3：

10.70

Density：

1.0±0.1 g/cm3

Boiling Point：

604.7±55.0 °C at 760 mmHg

Flash Point：

227.0±24.3 °C

Refractive Index：

1.550

Computed Properties

Molecular Weight:462.7
XLogP3:10
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:11
Exact Mass:462.31339520
Monoisotopic Mass:462.31339520
Topological Polar Surface Area:46.5
Heavy Atom Count:34
Complexity:844
Defined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes