Triterpenoids

Yadanziolide B

鸦胆子内酯B

PHY-NP-01437 · Natural product research catalog

Catalog number	PHY-NP-01437
CAS number	95258-13-2
Molecular formula	C₂₀H₂₆O₁₁
Molecular weight	442.417 g/mol
Chemical class	Triterpenoids
Main reported source	Brucea javanica
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

Select a pack size

Pack	Price (USD)	Availability	Lead time
5 mg	Request quote	To be confirmed	Confirm in quotation
10 mg	Request quote	To be confirmed	Confirm in quotation
20 mg	Request quote	To be confirmed	Confirm in quotation
50 mg	Request quote	To be confirmed	Confirm in quotation
100 mg	Request quote	To be confirmed	Confirm in quotation

Final specifications and availability are confirmed in your quotation. No purchase or reservation is made here.

Larger pack sizes available — Request a quote
Request larger pack sizes / bulk quantity ↗
Telephone contact details will be published after launch.

Yadanziolide B is listed in the Triterpenoids 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	(1R,2R,3R,6S,7R,8S,12S,13S,14R,15R,16S,17R)-2,3,7,12,15,16-hexahydroxy-17-(hydroxymethyl)-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
SMILES	CC1=CC(=O)[C@H]([C@]2([C@H]1[C@H]([C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@]4([C@H](C(=O)O3)O)O)(OC5)CO)O)O)O)C)O
InChIKey	QPBBQXZJTIVCTO-VWXLKGNHSA-N
Subclass / scaffold	Quassinoids
PubChem CID	11744055

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

View additional properties & classification

Ring count	5
Aromatic rings	0
Fraction Csp³	0.8
Synthetic accessibility score	6.88
QED score	0.196
Lipinski rule violations	2
NPClassifier pathway	Terpenoids
NPClassifier superclass	Triterpenoids
NPClassifier class	Quassinoids
Parent SMILES	CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@H](O)[C@]3(O)[C@]14CO[C@]3(CO)[C@@H](O)[C@H](O)[C@H]24
Parent formula	C₂₀H₂₆O₁₁
Parent molecular weight	442.417
Specified stereocenters	12
Unspecified stereocenters	0

Main reported source	Brucea javanica
Reported source families	Simaroubaceae

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

View occurrence records & references

LOTUS / Wikidata species	Brucea javanica[3]; Brucea mollis[1]
All reported source families	Simaroubaceae[2]
LOTUS species records	2
LOTUS reference records	4
COCONUT occurrence records	Amycolatopsis azurea; Aplysina cauliformis; Asplenium normale; Brucea javanica; Brucea mollis; Carpobrotus edulis; Castanea crenata; Centrolobium tomentosum; Cephalonomia gallicola; Ceratophyllum submersum; Chelidonura fulvipunctata; Dracocephalum kotschyi; Lippia carviodora; Myrica nana; Oecophylla smaragdina; Parmelia metastrigosa; Pneumatospora obcoronata; Psilostrophe cooperi; Sideritis tragoriganum; Solanum jamaicense; Trifolium alexandrinum; Yponomeuta malinellus
COCONUT organism records	22
COCONUT identifier	CNP0247174.1

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

Request applicable documentation and handling information before ordering or use.