Steroids

17-Hydroxygracillin

17-羟基纤细薯蓣皂苷

PHY-NP-11459 · Natural product research catalog

Catalog number	PHY-NP-11459
CAS number	90308-85-3
Molecular formula	C₄₅H₇₂O₁₈
Molecular weight	901.053 g/mol
Chemical class	Steroids
Main reported source	Triteleia hyacinthina
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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20 mg	Request quote	To be confirmed	Confirm in quotation
50 mg	Request quote	To be confirmed	Confirm in quotation
100 mg	Request quote	To be confirmed	Confirm in quotation

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17-Hydroxygracillin 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.

IUPAC name	(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
SMILES	C[C@@H]1CC[C@@]2([C@H]([C@]3([C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)O)C)OC1
InChIKey	CECFADWCOVINPQ-MLGPCXTCSA-N
Subclass / scaffold	Spirostane steroids；皂苷/苷
PubChem CID	101151875

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

View additional properties & classification

Ring count	9
Aromatic rings	0
Fraction Csp³	0.956
Synthetic accessibility score	6.8
QED score	0.135
Lipinski rule violations	3
NPClassifier pathway	Terpenoids
NPClassifier superclass	Steroids
NPClassifier class	Spirostane steroids
Parent SMILES	C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C
Parent formula	C₄₅H₇₂O₁₈
Parent molecular weight	901.053
Specified stereocenters	26
Unspecified stereocenters	0

Main reported source	Triteleia hyacinthina
Reported source families	Asparagaceae

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

View occurrence records & references

LOTUS / Wikidata species	Triteleia hyacinthina[1]
All reported source families	Asparagaceae[1]
LOTUS species records	1
LOTUS reference records	1
COCONUT occurrence records	Triteleia hyacinthina
COCONUT organism records	1
COCONUT identifier	CNP0131930.2

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
Shipping	Confirmed with the quotation

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