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Steroids

Physalin D

酸浆苦味素D

PHY-NP-11123 · Natural product research catalog

Catalog numberPHY-NP-11123
CAS number54980-22-2
Molecular formulaC28H32O11
Molecular weight544.553 g/mol
Chemical classSteroids
Main reported sourcePhysalis angulata
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Physalin D

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Product information

Physalin D 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(1R,2S,5S,8S,9R,14R,15R,17R,18S,21S,24R,26S,27S)-5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,29-tetrone
SMILESC[C@]12C[C@@H]3[C@]4([C@]56[C@H]1C(=O)[C@](O5)([C@@H]7C[C@H]([C@]8(CC=CC(=O)[C@@]8([C@H]7CC[C@@]6(C(=O)O4)O)C)O)O)OC[C@H]2C(=O)O3)C
InChIKeyDUGJJSWZRHBJJK-KLWPSQLOSA-N
Subclass / scaffoldErgostane steroids
PubChem CID44575286

Computed properties

Exact mass (Da)544.1945Predicted LogP-0.2774
Predicted TPSA (Ų)165.89H-bond donors3
H-bond acceptors11Rotatable bonds0

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

View additional properties & classification
Ring count8
Aromatic rings0
Fraction Csp³0.786
Synthetic accessibility score7.67
QED score0.344
Lipinski rule violations2
NPClassifier pathwayTerpenoids
NPClassifier superclassSteroids
NPClassifier classErgostane steroids
Parent SMILESC[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@@]5([C@H]2C1=O)[C@@]3(C)OC(=O)[C@@]5(O)CC[C@H]1[C@H]4C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C
Parent formulaC28H32O11
Parent molecular weight544.553
Specified stereocenters13
Unspecified stereocenters0

Reported natural occurrence

Main reported sourcePhysalis angulata
Reported source familiesSolanaceae

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

View occurrence records & references
LOTUS / Wikidata speciesPhysalis angulata[2]; Physalis lagascae[1]; Physalis minima[1]; Witheringia solanacea[1]
All reported source familiesSolanaceae[4]
LOTUS species records4
LOTUS reference records4
COCONUT occurrence recordsPhysalis alkekengi; Physalis angulata; Physalis lagascae; Physalis minima; Witheringia solanacea
COCONUT organism records5
COCONUT identifierCNP0342775.6

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.