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Steroids

Otophylloside J

青阳参苷J

PHY-NP-11383 · Natural product research catalog

Catalog numberPHY-NP-11383
CAS number1015447-50-3
Molecular formulaC61H92O25
Molecular weight1225.382 g/mol
Chemical classSteroids
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Otophylloside J

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Product information

Otophylloside J 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

SMILESC[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4C[C@H]([C@@]5([C@@](CC[C@@]5([C@@]4(CC=C3C2)O)O)(C(=O)C)O)C)OC(=O)C6=CC=C(C=C6)O)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O[C@H]9C[C@@H]([C@@H]([C@H](O9)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC)OC)OC
InChIKeyILUIZUHFBGOYNX-UUVUJXPVSA-N
Subclass / scaffoldPregnane steroids;皂苷/苷
PubChem CID162924710

Computed properties

Exact mass (Da)1224.5928Predicted LogP1.7116
Predicted TPSA (Ų)345.43H-bond donors9
H-bond acceptors25Rotatable bonds17

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

View additional properties & classification
Ring count10
Aromatic rings1
Fraction Csp³0.836
Synthetic accessibility score7.29
QED score0.079
Lipinski rule violations3
NPClassifier pathwayTerpenoids
NPClassifier superclassSteroids
NPClassifier classPregnane steroids
Parent SMILESCO[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@]5(O)[C@@H]4C[C@@H](OC(=O)c4ccc(O)cc4)[C@@]4(C)[C@]5(O)CC[C@@]4(O)C(C)=O)C3)O[C@@H]2C)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O[C@H]2C[C@H](OC)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1
Parent formulaC61H92O25
Parent molecular weight1225.382
Specified stereocenters29
Unspecified stereocenters0

Reported natural occurrence

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

View occurrence records & references
LOTUS species records0
LOTUS reference records0
COCONUT organism records0

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.