(20S)-Protopanaxatriol (~91% HPLC)

cas: 34080-08-5 — see every product listed under this CAS number, including other names

(20S)-Protopanaxatriol (~91% HPLC) (CAS 34080-08-5) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 25mg, 50mg. Offered by: TRC.

brandTRC
catalog numberTRC-P838855-100MG
cas34080-08-5
size100mg
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Structural formula: {0} (CAS {1})

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.

Source: ChEBI

Identity
Molecular formulaC30H52O4
Molecular weight476.7 g/mol
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
InChIKeySHCBCKBYTHZQGZ-CJPZEJHVSA-N
SMILESCC(=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

Computed by PubChem (NCBI)

Synonyms: (20S)-Protopanaxatriol, Protopanaxatriol, 20S-Protopanaxatriol, dammar-24-ene-3beta,6alpha,12beta,20-tetrol, (3beta,6alpha,12beta)-dammar-24-ene-3,6,12,20-tetrol, Dammar-24-ene-3,6,12,20-tetrol, (3beta,6alpha,12beta)-, 20(S)-protopanaxatriol, g-PPT, Protopanaxtriol, S-Protopanaxatriol
Related forms of this compound
(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-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 C30H52O4
(8R,10R,14R)-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 C30H52O4
Isomers (same molecular formula)
(3S,5R,6R,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-3,6,12-triol C30H52O4
[(20S)-20-methyldocosyl] 2,3-dihydroxybenzoate C30H52O4
(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol C30H52O4
(3R,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol C30H52O4
(3R,5aR,6R,7S,9aR)-6-[2-[(1R,3aR,5S,8aR)-1-hydroxy-1,4,4,6-tetramethyl-2,3,3a,5,8,8a-hexahydroazulen-5-yl]ethyl]-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepine-3,7-diol C30H52O4
(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-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-3,12-diol C30H52O4
(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(E)-6-hydroxy-6-methylhept-2-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 C30H52O4
(3R,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-4,7,9-triol C30H52O4

Also listed as

(20S)-Protopanaxatriol/ 98.12% (existing batch purity) TargetMol CAS 34080-08-5
(20S)-Protopanaxatriol, 99.93% MedChemExpress CAS 34080-08-5
(20S)-Protopanaxatriol (Standard) MedChemExpress CAS 34080-08-5