Steroids

Inokosterone

牛膝甾酮

PHY-NP-11071 · Natural product research catalog

Catalog number	PHY-NP-11071
CAS number	15130-85-5
Molecular formula	C₂₇H₄₄O₇
Molecular weight	480.642 g/mol
Chemical class	Steroids
Purity / assay	Confirmed in quotation and batch COA

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Product information

Inokosterone 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,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,6R)-2,3,7-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
SMILES	C[C@H](CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O)CO
InChIKey	JQNVCUBPURTQPQ-GYVHUXHASA-N
Subclass / scaffold	Ecdysteroids
PubChem CID	441828

Computed properties & structure classification

Exact mass (Da)	480.3087	Predicted LogP	1.7115
Predicted TPSA (Å²)	138.45	H-bond donors	6
H-bond acceptors	7	Rotatable bonds	6
Ring count	4	Aromatic rings	0
Fraction Csp³	0.889	Synthetic accessibility score	5.17
QED score	0.34	Lipinski rule violations	1
NPClassifier pathway	Terpenoids	NPClassifier superclass	Steroids
NPClassifier class	Ecdysteroids	Parent SMILES	C[C@@H](CO)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]3CC[C@]12C
Parent formula	C₂₇H₄₄O₇	Parent molecular weight	480.642
Specified stereocenters	11	Unspecified stereocenters	0

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

Reported natural occurrence

Main reported source	Polypodium virginianum
LOTUS / Wikidata species	Polypodium virginianum(北美多足蕨)[3]；Polypodium vulgare(欧亚多足蕨)[3]；Lloydia serotina(洼瓣花)[1]；Palythoa australiae(澳大利亚沙群海葵)[1]；Rhaponticum carthamoides(鹿草)[1]
Source families	Polypodiaceae[2]；Liliaceae[1]；Sphenopidae[1]；Asteraceae[1]；Zoanthidae[1]
Genus / family records	Zoanthus(花群海葵属)[1]
LOTUS species records	5
LOTUS reference records	7
COCONUT occurrence records	Achyranthes Bidentata；Achyranthes bidentata；Achyranthes fauriei；Achyranthes japonica；Lloydia serotina；Morus Alba；Morus alba；Palythoa australiae；Polypodium virginianum；Polypodium vulgare；Rhaponticum carthamoides；Woodwardia orientalis；Zoanthus；Zoanthus sp.
COCONUT organism records	14
COCONUT identifier	CNP0311995.1

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

Download structure · SDF ↓Download structure image ↓View PubChem record ↗

Structure files describe the catalog record. They are not COA, SDS or evidence of batch quality.

Documents & specifications

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

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