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Steroids

parisyunnanoside H

滇重楼皂苷H

PHY-NP-11266 · Natural product research catalog

Catalog numberPHY-NP-11266
CAS number1369500-64-0
Molecular formulaC50H78O24
Molecular weight1063.15 g/mol
Chemical classSteroids
Main reported sourceParis polyphylla
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of parisyunnanoside H

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Product information

parisyunnanoside H 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,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-[(1'S,2R,2'S,3S,4S,4'S,7'R,8'R,9'S,12'S,13'R,14'R,16'R)-3,16'-dihydroxy-7'-(hydroxymethyl)-5,9',13'-trimethyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyspiro[3,4-dihydropyran-2,6'-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene]-14'-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
SMILESC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@H]3C[C@@H](CC4=CC[C@@H]5[C@@H]([C@@]34C)CC[C@]6([C@H]5C[C@H]7[C@@H]6[C@@H]([C@]8(O7)[C@H]([C@H](C(=CO8)C)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)C)O)O)O)O)CO)C)O)CO)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O
InChIKeyBQKCPSHXKGIVAU-YLUVRYELSA-N
Subclass / scaffoldFurostane steroids;皂苷/苷
PubChem CID60154885

Computed properties

Exact mass (Da)1062.4883Predicted LogP-4.1425
Predicted TPSA (Ų)375.52H-bond donors14
H-bond acceptors24Rotatable bonds10

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

View additional properties & classification
Ring count10
Aromatic rings0
Fraction Csp³0.92
Synthetic accessibility score7.55
QED score0.092
Lipinski rule violations3
NPClassifier pathwayTerpenoids
NPClassifier superclassSteroids
NPClassifier classFurostane steroids
Parent SMILESCC1=CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2CO)[C@@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O
Parent formulaC50H78O24
Parent molecular weight1063.15
Specified stereocenters32
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceParis polyphylla

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

View occurrence records & references
LOTUS species records0
LOTUS reference records0
COCONUT occurrence recordsParis polyphylla
COCONUT organism records1
COCONUT identifierCNP0221459.1

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

Request applicable documentation and handling information before ordering or use.