Products 631-01-6

CAS 631-01-6 appears in our catalog under these names: Quillaic Acid, >95% (HPLC), Quillaic Acid/ 99.85% (existing batch purity), quillaic acid, 95%, 95%, Quillaic acid (Standard), Quillaic acid, 99.30%. Offered by: TRC, TargetMol, Chemat, MedChemExpress, Roth. Available pack sizes: 100mg, 10mg, 20mg, 5mg, 50mg, 25mg, 250mg, Get quote.

Quillaic Acid, >95% (HPLC)
TRC
  • size: 100mg, 10mg
  • Variants: 2
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Quillaic Acid/ 99.85% (existing batch purity)
TargetMol
  • size: 20mg
  • Variants: 1
from 1016.70
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quillaic acid, 95%, 95%
Chemat
  • size: 5mg, 10mg, 50mg, 100mg
  • Variants: 6
from 256.40
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Quillaic acid (Standard)
MedChemExpress
  • size: Get quote
  • Variants: 1
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Quillaic acid, 99.30%
MedChemExpress
  • size: 50 mg, 25 mg, 5 mg, 10mM/1mL
  • Variants: 6
from 505.45
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Quillaic acid, min. 95 %, 25 mg
Roth
  • size: 25mg
  • Variants: 1
from 1533.88
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Quillaic acid, min. 95 %, 50 mg
Roth
  • size: 50mg
  • Variants: 1
from 2289.01
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Quillaic acid, min. 95 %, 100 mg
Roth
  • size: 100mg
  • Variants: 1
from 3799.28
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QUILLAIC ACID, ≥98%
Fluorochem
  • size: 5mg, 10mg, 50mg, 100mg
  • Variants: 4
from 461.31
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Structural formula: {0} (CAS {1})

Quillaic acid is a pentacyclic triterpenoid that is olean-12-ene substituted by hydroxy groups at positions 3 and 16, an oxo group at position 23 and a carboxy group at position 28 (the 3beta,16alpha stereoisomer). It has a role as a metabolite and an anti-inflammatory agent. It is an aldehyde, a pentacyclic triterpenoid and a hydroxy monocarboxylic acid. It is a conjugate acid of a quillate. It derives from a hydride of an oleanane.

Source: ChEBI

Identity
Molecular formulaC30H46O5
Molecular weight486.7 g/mol
IUPAC name(4aR,5R,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
InChIKeyMQUFAARYGOUYEV-UAWZMHPWSA-N
SMILESC[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C=O)O

Computed by PubChem (NCBI)

Synonyms: Quillaic acid, quillaja sapogenin, (3beta,4alpha,16alpha)-3,16-Dihydroxy-23-oxoolean-12-en-28-oic acid, (+)-QUILLAIC ACID, 3beta,16alpha-dihydroxy-23-oxoolean-12-en-28-oic acid, 3 beta,16 alpha-dihydroxy-23-oxoolean-12-en-28-oic acid, Saponin bark extract, Soapbark(saponaria)extract, QUILLAIC ACID [MI], orb1221934
Isomers (same molecular formula)
bis(3,5-ditert-butyl-4-hydroxybenzaldehyde);hydrate C30H46O5
(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid C30H46O5
(1R,2R,4aS,6aR,6aS,6bR,8aR,9R,12aR,14bS)-1-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-2H-picene-4a-carboxylic acid C30H46O5
(1S,2R,3S,4R,7R,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-one C30H46O5
(5R,8S,9S,10S,11S,14R)-17-[(2R,4S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthrene-3,16-dione C30H46O5
(1R,4aS,6aR,6aS,6bR,8aR,9S,10S,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid C30H46O5
(1R,2R,4aS,6aR,6aS,6bR,8aR,11R,12aR,14bS)-1,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-2H-picene-4a-carboxylic acid C30H46O5
(5R,8S,9S,10S,14R)-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione C30H46O5
(4aS,6aS,6aS,6bR,8aS,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-12-oxo-3,4,5,6,6a,7,8,8a,10,11,13,14b-dodecahydro-1H-picene-4a-carboxylic acid C30H46O5
(1R,2R,5S,8R,9R,10R,13R,14R,15R,16S,18R)-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid C30H46O5
(1R,2R,4aS,6aR,6aS,6bR,8R,8aR,12aR,14bS)-1,8-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-2H-picene-4a-carboxylic acid C30H46O5
(6aR,6bS,8aS,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid C30H46O5