Steroids

Estradiol Hemihydrate

PHY-NP-11193 · Natural product research catalog

Catalog number	PHY-NP-11193
CAS number	35380-71-3
Molecular formula	C₃₆H₅₀O₅
Molecular weight	562.791 g/mol
Chemical class	Steroids
Main reported source	Homo sapiens
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Estradiol Hemihydrate 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	bis((8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol);hydrate
SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.O
InChIKey	ZVVGLAMWAQMPDR-WVEWYJOQSA-N
Subclass / scaffold	Estrane steroids
PubChem CID	154274

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

View additional properties & classification

Ring count	4
Aromatic rings	1
Fraction Csp³	0.667
Synthetic accessibility score	3.59
QED score	0.757
Lipinski rule violations	0
NPClassifier pathway	Terpenoids
NPClassifier superclass	Steroids
NPClassifier class	Estrane steroids
Parent SMILES	C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
Parent formula	C₁₈H₂₄O₂
Parent molecular weight	272.388
Specified stereocenters	5
Unspecified stereocenters	0

Main reported source	Homo sapiens
Reported source families	Fabaceae; Hominidae; Asteriidae

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

View occurrence records & references

LOTUS / Wikidata species	Homo sapiens[2]; Asterias rubens[1]; Dalbergia sissoo[1]; Daphnia magna[1]; Iryanthera lancifolia[1]; Locusta migratoria[1]; Onobrychis ebenoides[1]; Sarcophaga bullata[1]; Solanum glaucophyllum[1]
All reported source families	Fabaceae[2]; Hominidae[1]; Asteriidae[1]; Daphniidae[1]; Myristicaceae[1]; grasshopper[1]
LOTUS species records	9
LOTUS reference records	10
COCONUT occurrence records	Asterias rubens; Cervus elaphus; Cervus nippon; Dalbergia sissoo; Daphnia magna; Drynaria fortunei; Glycyrrhiza inflata; Harpagophytum procumbens var. sublobatum; Homo sapiens; Human placenta; Iryanthera lancifolia; Locusta migratoria; Moschus berezovskii; Moschus chrysogaster; Moschus moschiferus; Moschus sifanicus; Mus musculus; Onobrychis ebenoides; Panax notoginseng; Phaseolus vulgaris; Sarcophaga bullata; Solanum glaucophyllum; Sophora flavescens; Vinum
COCONUT organism records	24
COCONUT identifier	CNP0218249.1

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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