Triterpenoids

Cabraleone

南美楝酮

PHY-NP-00290 · Natural product research catalog

Catalog number	PHY-NP-00290
CAS number	35761-54-7
Molecular formula	C₃₀H₅₀O₃
Molecular weight	458.727 g/mol
Chemical class	Triterpenoids
Main reported source	Aglaia foveolata
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Cabraleone is listed in the Triterpenoids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

IUPAC name	(5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SMILES	C[C@@]12CC[C@@H]([C@H]1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)[C@@]5(CC[C@H](O5)C(C)(C)O)C
InChIKey	XSQYWMLMQVUWSF-FXFLHSNUSA-N
Subclass / scaffold	Dammarane and Protostane triterpenoids
PubChem CID	21625900

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification

Ring count	5
Aromatic rings	0
Fraction Csp³	0.967
Synthetic accessibility score	4.75
QED score	0.487
Lipinski rule violations	1
NPClassifier pathway	Terpenoids
NPClassifier superclass	Triterpenoids
NPClassifier class	Dammarane and Protostane triterpenoids
Parent SMILES	CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]23C)O1
Parent formula	C₃₀H₅₀O₃
Parent molecular weight	458.727
Specified stereocenters	9
Unspecified stereocenters	0

Main reported source	Aglaia foveolata
Reported source families	Meliaceae; Betulaceae; Burseraceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references

LOTUS / Wikidata species	Aglaia foveolata[2]; Aglaia rubiginosa[2]; Commiphora dalzielii[2]; Aglaia abbreviata[1]; Aglaia elaeagnoidea[1]; Aglaia lawii[1]; Aglaia leucophylla[1]; Aglaia tomentosa[1]; Betula platyphylla[1]; Betula platyphylla var. japonica[1]; Cabralea canjerana[1]; Dysoxylum malabaricum[1]; Nerium oleander[1]; Nothofagus dombeyi[1]
All reported source families	Meliaceae[9]; Betulaceae[2]; Burseraceae[1]; Apocynaceae[1]; Nothofagaceae[1]
LOTUS species records	14
LOTUS reference records	14
COCONUT occurrence records	Aglaia abbreviata; Aglaia elaeagnoidea; Aglaia foveolata; Aglaia lawii; Aglaia leucophylla; Aglaia rubiginosa; Aglaia tomentosa; Amoora rohituka; Baccharis minutiflora; Balsamorhiza hookeri; Betula platyphylla; Betula platyphylla var. japonica; Cabralea canjerana; Cabralea eichleriana; Cabralea polytricha; Calea subcordata; Ceramaster patagonicus; Chalciporus piperatus; Commiphora dalzielii; Cyathocline lyrata; Dysoxylum malabaricum; Eucalyptus occidentalis; Flourensia ilicifolia; Gardenia lucida; Halimium halimifolium; Heliotropium olgae; Ligularia anoleuca; Millettia thonningii; Nerium oleander; Nothofagus dombeyi
COCONUT organism records	41
COCONUT identifier	CNP0106049.1
Source reference DOI(s)	10.1021/NP0304417.S001

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
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