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Ganoderic acid TN

CAT: 0931-TN4106Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN4106Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112430-64-5
Target
Others, Influenza Virus
Related Pathways
Others, Microbiology/Virology
Bioactivity
Ganoderic acid TN is a natural product. The catalog number is TN4106 and the CAS number is 112430-64-5. Ganoderic acid TN can be used as a reference standard.
Smiles
[H][C@@]1(C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)[C@H](C)CC\C=C(/C)C(O)=O
Molecular Formula
C32H48O5
Molecular Weight
512.731
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ganoderic Acid X

(E,6R)-6-[(3S,5R,10S,13R,14R,15S,17R)-15-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid has been reported in Ganoderma lucidum with data available.

CAS Number112430-64-5
PubChem CID71459520
IUPAC Name(E,6R)-6-[(3S,5R,10S,13R,14R,15S,17R)-15-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Molecular FormulaC32H48O5
Molecular Weight512.7
XLogP6.5
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity1050
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(CC[C@@H](C4(C)C)O)C)C)C)OC(=O)C
InChI
InChI=1S/C32H48O5/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/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+/t19-,24-,25+,26+,27+,30-,31-,32-/m1/s1
InChIKey
YCWGPALSXRBKTM-FKJOTFDOSA-N
Chemical Structure
2D Structure
2D structure of Ganoderic Acid X
CAS: 112430-64-5
CID: 71459520
Formula: C32H48O5
MW: 512.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.7
XLogP36.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass512.35017463
Monoisotopic Mass512.35017463
Topological Polar Surface Area83.8 Ų
Heavy Atom Count37
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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