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Home / Natural products / 6α-isobutyryloxy-Britannilactone
Sesquiterpenoids

6α-isobutyryloxy-Britannilactone

6α-异丁酰基-旋覆花内酯

PHY-NP-03691 · Natural product research catalog

Catalog numberPHY-NP-03691
CAS number1259933-02-2
Molecular formulaC19H28O5
Molecular weight336.428 g/mol
Chemical classSesquiterpenoids
Main reported sourceInula britannica
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of 6α-isobutyryloxy-Britannilactone

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Product information

6α-isobutyryloxy-Britannilactone 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.

Names & identifiers

SMILESCC1=C([C@H]([C@H]2[C@@H](C1)OC(=O)C2=C)OC(=O)C(C)C)[C@@H](C)CCCO
InChIKeyRIFCMNAQMNUNKD-ASTDHERZSA-N
Subclass / scaffoldGermacrane sesquiterpenoids
PubChem CID50917934

Computed properties

Exact mass (Da)336.1937Predicted LogP2.7808
Predicted TPSA (Ų)72.83H-bond donors1
H-bond acceptors5Rotatable bonds6

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

View additional properties & classification
Ring count2
Aromatic rings0
Fraction Csp³0.684
Synthetic accessibility score4.4
QED score0.459
Lipinski rule violations0
NPClassifier pathwayTerpenoids
NPClassifier superclassSesquiterpenoids
NPClassifier classGermacrane sesquiterpenoids
Parent SMILESC=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCO)[C@@H](OC(=O)C(C)C)[C@H]12
Parent formulaC19H28O5
Parent molecular weight336.428
Specified stereocenters4
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceInula britannica
Reported source familiesAsteraceae

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

View occurrence records & references
LOTUS / Wikidata speciesInula britannica[1]; Inula japonica[1]; Pentanema britannicum[1]
All reported source familiesAsteraceae[3]
LOTUS species records3
LOTUS reference records1
COCONUT occurrence recordsInula britannica; Inula japonica; Pentanema britannicum
COCONUT organism records3
COCONUT identifierCNP0303630.1

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.

From the same chemical class; matching subclass / scaffold shown first. These suggestions are not a calculated structure-similarity assessment.

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