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Steroids

Tigogenin

剑麻皂苷元

PHY-NP-11446 · Natural product research catalog

Catalog numberPHY-NP-11446
CAS number77-60-1
Molecular formulaC27H44O3
Molecular weight416.646 g/mol
Chemical classSteroids
Main reported sourceTrigonella foenum-graecum
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Tigogenin

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Product information

Tigogenin 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(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol
SMILESC[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1
InChIKeyGMBQZIIUCVWOCD-MFRNJXNGSA-N
Subclass / scaffoldSpirostane steroids
PubChem CID99516

Computed properties

Exact mass (Da)416.329Predicted LogP5.7938
Predicted TPSA (Ų)38.69H-bond donors1
H-bond acceptors3Rotatable bonds0

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

View additional properties & classification
Ring count6
Aromatic rings0
Fraction Csp³1.0
Synthetic accessibility score5.22
QED score0.543
Lipinski rule violations1
NPClassifier pathwayTerpenoids
NPClassifier superclassSteroids
NPClassifier classSpirostane steroids
Parent SMILESC[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Parent formulaC27H44O3
Parent molecular weight416.646
Specified stereocenters12
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceTrigonella foenum-graecum
Reported source familiesSolanaceae; Asparagaceae; Agavaceae

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

View occurrence records & references
LOTUS / Wikidata speciesTrigonella foenum-graecum[9]; sisal[3]; Agave americana[2]; Cordyline australis[2]; Ipheion uniflorum[2]; Solanum dulcamara[2]; Yucca gloriosa[2]; Agave angustifolia var. angustifolia[1]; Agave aurea[1]; Agave cantala[1]; Agave vivipara[1]; Alkekengi officinarum[1]; Allium chinense[1]; Allium rotundum[1]; Allium rubellum[1]
All reported source familiesSolanaceae[14]; Asparagaceae[6]; Agavaceae[6]; Fabaceae[5]; Laxmanniaceae[4]; Alliaceae[4]
LOTUS species records45
LOTUS reference records43
COCONUT occurrence recordsAcacia lemmoni; Achillea pratensis; Acinetobacter junii; Actinopolyspora erythraea; Agave Americana; Agave Angustifolia; Agave Cantala; Agave Sisalana; Agave americana; Agave americana L.; Agave americana var.marginata; Agave angustifolia; Agave angustifolia var. angustifolia; Agave aurea; Agave cantala; Agave east-one; Agave lophantha; Agave sisalana; Agave sp.; Agave stricta; Agave vivipara; Alcea nudiflora; Alisma plantago-aquatica; Allium albanum; Allium chinense; Allium macrostemon; Allium rotundum; Allium rubellum; Ambrosia cumanensis; Amomum zambesiacum
COCONUT organism records192
COCONUT identifierCNP0192382.12

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

Documents & specifications

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

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