Sesquiterpenoids

Graveolide

2,3-二氢芳香堆心菊素

PHY-NP-03956 · Natural product research catalog

Catalog number	PHY-NP-03956
CAS number	72173-44-5
Molecular formula	C₁₅H₂₀O₃
Molecular weight	248.322 g/mol
Chemical class	Sesquiterpenoids
Main reported source	Telekia speciosa
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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5 mg	Request quote	To be confirmed	Confirm in quotation
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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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Graveolide 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	(3aS,5R,5aS,8aS,9aR)-5,8a-dimethyl-1-methylidene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione
SMILES	C[C@@H]1C[C@H]2[C@H](C[C@]3([C@H]1CCC3=O)C)C(=C)C(=O)O2
InChIKey	DCKYPAZZUYXYTC-SCGWIAOYSA-N
Subclass / scaffold	Pseudoguaiane sesquiterpenoids
PubChem CID	11043090

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

View additional properties & classification

Ring count	3
Aromatic rings	0
Fraction Csp³	0.733
Synthetic accessibility score	4.31
QED score	0.488
Lipinski rule violations	0
NPClassifier pathway	Terpenoids
NPClassifier superclass	Sesquiterpenoids
NPClassifier class	Pseudoguaiane sesquiterpenoids
Parent SMILES	C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3CCC(=O)[C@@]3(C)C[C@H]12
Parent formula	C₁₅H₂₀O₃
Parent molecular weight	248.322
Specified stereocenters	5
Unspecified stereocenters	0

Main reported source	Telekia speciosa
Reported source families	Asteraceae

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

View occurrence records & references

LOTUS / Wikidata species	Telekia speciosa[2]; Arnica cordifolia[1]; Bedfordia arborescens[1]; Carpesium faberi[1]; Dittrichia graveolens[1]; Inula caspica[1]; Inula hupehensis[1]; Pentanema caspicum[1]; Syncarpha gnaphaloides[1]
All reported source families	Asteraceae[9]
LOTUS species records	9
LOTUS reference records	9
COCONUT occurrence records	Ambrosia confertiflora; Ambrosia dumosa; Andryala cedretorum; Arnica cordifolia; Bedfordia arborescens; Carpesium faberi; Cussonia vantsilana; Dittrichia graveolens; Dittrichia graveolens (L.) GREUTER; Inula caspica; Inula graveolens; Inula hupehensis; Pentanema caspicum; Persicaria hydropiper; Pharyngodictyon cauliflos; Podocarpus macrophylla; Senecio cissampelinus; Sideritis congesta; Strychnos scheffleri; Syncarpha gnaphaloides; Telekia speciosa; Telekia speciosa (Schreib.) Baumg.
COCONUT organism records	22
COCONUT identifier	CNP0184577.1

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

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