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Panaxadiol

CAT: 1410-M18191-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M18191-01Size:1 mL x 10 mM in DMSO
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Description
Panaxadiol is a novel antitumor agent extracted from the Chinese medical herb Panax ginseng.
CAS Number
19666-76-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
460.73
Molecular Formula
C30H52O3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Panaxadiol

Panaxadiol is a triterpenoid saponin.

CAS Number19666-76-3
PubChem CID73498
IUPAC Name(3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Molecular FormulaC30H52O3
Molecular Weight460.7
XLogP6.9
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count33
Formal Charge0
Complexity789
SMILES
C[C@@]1(CCCC(O1)(C)C)[C@H]2CC[C@@]3([C@@H]2[C@@H](C[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)O)C
InChI
InChI=1S/C30H52O3/c1-25(2)13-9-14-30(8,33-25)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1
InChIKey
PVLHOJXLNBFHDX-XHJPDDKBSA-N
Chemical Structure
2D Structure
2D structure of Panaxadiol
CAS: 19666-76-3
CID: 73498
Formula: C30H52O3
MW: 460.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.7
XLogP36.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass460.39164552
Monoisotopic Mass460.39164552
Topological Polar Surface Area49.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity789
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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