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Chemical structure of Turkesterone
Steroids

Turkesterone

土克甾酮

PHY-NP-11084 · Natural product research catalog

Catalog numberPHY-NP-11084
CAS number41451-87-0
Molecular formulaC27H44O8
Molecular weight496.641 g/mol
Chemical classSteroids
Purity / assayConfirmed in quotation and batch COA

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Product information

Turkesterone is listed in the Steroids 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.

Names & identifiers

IUPAC name(2S,3R,5R,9R,10R,11R,13R,14S,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
SMILESC[C@]12C[C@H]([C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O)O
InChIKeyWSBAGDDNVWTLOM-XHZKDPLLSA-N
Subclass / scaffoldEcdysteroids
PubChem CID14376672

Computed properties & structure classification

Exact mass (Da)496.3036Predicted LogP0.8248
Predicted TPSA (Ų)158.68H-bond donors7
H-bond acceptors8Rotatable bonds5
Ring count4Aromatic rings0
Fraction Csp³0.889Synthetic accessibility score5.34
QED score0.295Lipinski rule violations1
NPClassifier pathwayTerpenoidsNPClassifier superclassSteroids
NPClassifier classEcdysteroidsParent SMILESCC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C
Parent formulaC27H44O8Parent molecular weight496.641
Specified stereocenters11Unspecified stereocenters0

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

Main reported sourceAjuga turkestanica
LOTUS / Wikidata speciesAjuga turkestanica(新疆筋骨草)[3];Silene linicola[2];Vitex canescens(灰毛牡荆)[2];Blandfordia punicea(香水花科)[1];Cyanotis arachnoidea(蛛丝毛蓝耳草)[1];Paris polyphylla var. chinensis(华重楼)[1];Rhaponticum carthamoides(鹿草)[1];Sida spinosa(刺黄花棯)[1];Tapinella panuoides(耳状小塔氏菌)[1];Vitex pinnata[1];Vitex polygama[1];Vitex scabra[1]
Source familiesLamiaceae[5];Caryophyllaceae[1];Blandfordiaceae[1];Commelinaceae[1];Melanthiaceae[1];Asteraceae[1]
LOTUS species records12
LOTUS reference records16
COCONUT occurrence recordsAjuga sp.;Ajuga turkestanica;Blandfordia punicea;Cyanotis arachnoidea;Daiswa polyphylla;Paris polyphylla var. chinensis;Rhaponticum carthamoides;Rhaponticum sp.;Sida spinosa;Silene linicola;Tapinella panuoides;Vitex canescens;Vitex pinnata;Vitex polygama;Vitex scabra;Vitex sp.
COCONUT organism records16
COCONUT identifierCNP0245530.1

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Documents & specifications

Certificate of analysis (COA)Batch-specific document pending; not available in this preview
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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