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(20S) -Protopanaxatriol

CAT: 1568-C09460-5mgSize: 5 mgDry Ice: YesHazardous: No
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CAT#:1568-C09460-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
34080-08-5
Synonyms
G-PPT, 20 (S) -APPT
Target
Glucocorticoid Receptor
Applications
Endocrinology & Hormones
Smiles
CC (=CCCC (C) (C1CCC2 (C1C (CC3C2 (CC (C4C3 (CCC (C4 (C) C) O) C) O) C) O) C) O) C
Molecular Formula
C30H52O4
Additionnal Information
(20S) -Protopanaxatriol (g-PPT, 20 (S) -APPT), a neuroprotective metabolite of ginsenoside, protopanaxatriol (g-PPT), is a functional ligand for both GR and ERbeta and could modulate endothelial cell functions through the glucocorticoid receptor (GR) and estrogen receptor (ER) .
Storage Conditions
2 years -80 in solvent

Chemical Information

(20S)-Protopanaxatriol

Protopanaxatriol is a tetracyclic triterpenoid sapogenin (isolated from ginseng and notoginseng) that is that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 pro-S positions and in which a double bond has been introduced at the 24-25 position. It has a role as a metabolite. It is a 3beta-hydroxy-4,4-dimethylsteroid, a sapogenin, a tetracyclic triterpenoid, a 3beta-hydroxy steroid, a 12beta-hydroxy steroid and a 6alpha-hydroxy steroid. It derives from a hydride of a dammarane.

CAS Number34080-08-5
PubChem CID11468733
IUPAC Name(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol
Molecular FormulaC30H52O4
Molecular Weight476.7
XLogP5.9
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity817
SMILES
CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)O)C)O)C
InChI
InChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30-/m0/s1
InChIKey
SHCBCKBYTHZQGZ-CJPZEJHVSA-N
Chemical Structure
2D Structure
2D structure of (20S)-Protopanaxatriol
CAS: 34080-08-5
CID: 11468733
Formula: C30H52O4
MW: 476.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.7
XLogP35.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass476.38656014
Monoisotopic Mass476.38656014
Topological Polar Surface Area80.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity817
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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