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Ganoderic acid T-Q

CAT: 1410-M31235-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M31235-02Size:5 mg
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Description
Ganoderic acid T-Q and TR are two inhibitors of H5N1 and H1N1 NAs.
CAS Number
112430-66-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
510.7
Molecular Formula
C32H46O5
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Ganoderic Acid T-Q

Ganoderic acid T-Q is a triterpenoid.

CAS Number112430-66-7
PubChem CID10436380
IUPAC Name(E,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-acetyloxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Molecular FormulaC32H46O5
Molecular Weight510.7
XLogP6.2
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity1090
SMILES
C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)OC(=O)C
InChI
InChI=1S/C32H46O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-25,27H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+/t19-,24-,25+,27+,30-,31-,32-/m1/s1
InChIKey
JVABUELIHJXLKP-JBOPJBCTSA-N
Chemical Structure
2D Structure
2D structure of Ganoderic Acid T-Q
CAS: 112430-66-7
CID: 10436380
Formula: C32H46O5
MW: 510.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.7
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass510.33452456
Monoisotopic Mass510.33452456
Topological Polar Surface Area80.7 Ų
Heavy Atom Count37
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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