Sesquiterpenoids

Tagitinin D

圆叶肿柄菊素D；圆叶肿柄菊素

PHY-NP-03772 · Natural product research catalog

Catalog number	PHY-NP-03772
CAS number	56377-67-4
Molecular formula	C₁₉H₂₈O₆
Molecular weight	352.427 g/mol
Chemical class	Sesquiterpenoids
Main reported source	Tithonia diversifolia
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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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

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Tagitinin D is listed in the Sesquiterpenoids 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	(1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl) 2-methylpropanoate
SMILES	CC1CC2C(C(CC3(CCC1(O3)O)C)OC(=O)C(C)C)C(=C)C(=O)O2
InChIKey	VKWNXJLVNFOOOS-UHFFFAOYSA-N
Subclass / scaffold	Germacrane sesquiterpenoids
PubChem CID	324884

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

View additional properties & classification

Ring count	3
Aromatic rings	0
Fraction Csp³	0.789
Synthetic accessibility score	5.96
QED score	0.607
Lipinski rule violations	0
NPClassifier pathway	Terpenoids
NPClassifier superclass	Sesquiterpenoids
NPClassifier class	Germacrane sesquiterpenoids
Parent SMILES	C=C1C(=O)OC2CC(C)C3(O)CCC(C)(CC(OC(=O)C(C)C)C12)O3
Parent formula	C₁₉H₂₈O₆
Parent molecular weight	352.427
Specified stereocenters	0
Unspecified stereocenters	6

Main reported source	Tithonia diversifolia
Reported source families	Asteraceae

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

View occurrence records & references

LOTUS / Wikidata species	Tithonia diversifolia[3]; Tithonia rotundifolia[1]
All reported source families	Asteraceae[2]
LOTUS species records	2
LOTUS reference records	3
COCONUT occurrence records	Heliomeris longifolia; Heliomeris longifolia var. annua; Mammillaria runyoni; Penicillium scabrosum; Symphyotrichum novi-belgii; Tithonia diversifolia
COCONUT organism records	6
COCONUT identifier	CNP0216046.3

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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