Sesquiterpenoids

Isozedoarondiol

异蓬莪二醇

PHY-NP-03836 · Natural product research catalog

Catalog number	PHY-NP-03836
CAS number	108887-68-9
Molecular formula	C₁₅H₂₄O₃
Molecular weight	252.354 g/mol
Chemical class	Sesquiterpenoids
Main reported source	Curcuma aeruginosa
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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Isozedoarondiol 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	(3S,3aS,8R,8aR)-3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one
SMILES	CC(=C1C[C@H]2[C@@H](CC[C@]2(C)O)[C@](CC1=O)(C)O)C
InChIKey	TXIKNNOOLCGADE-PAPYEOQZSA-N
Subclass / scaffold	Guaiane sesquiterpenoids
PubChem CID	14632998

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

View additional properties & classification

Ring count	2
Aromatic rings	0
Fraction Csp³	0.8
Synthetic accessibility score	4.4
QED score	0.65
Lipinski rule violations	0
NPClassifier pathway	Terpenoids
NPClassifier superclass	Sesquiterpenoids
NPClassifier class	Guaiane sesquiterpenoids
Parent SMILES	CC(C)=C1C[C@H]2[C@@H](CC[C@]2(C)O)[C@](C)(O)CC1=O
Parent formula	C₁₅H₂₄O₃
Parent molecular weight	252.354
Specified stereocenters	4
Unspecified stereocenters	0

Main reported source	Curcuma aeruginosa
Reported source families	Zingiberaceae

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

View occurrence records & references

LOTUS / Wikidata species	Curcuma aeruginosa[1]; Curcuma aromatica[1]; Curcuma heyneana[1]; Curcuma longa[1]; Curcuma phaeocaulis[1]
All reported source families	Zingiberaceae[5]
LOTUS species records	5
LOTUS reference records	5
COCONUT occurrence records	Adiantum capillus-veneris; Curcuma Zedoaria; Curcuma aeruginosa; Curcuma aromatica; Curcuma heyneana; Curcuma kwangsiensis; Curcuma longa; Curcuma phaeocaulis; Curcuma wenyujin; Curcuma zedoaria; Fraxinus quadrangulata; Goniothalamus borneensis; Jacobaea maritima; Rhizoma wenyujin concisum; Tridentata marginata
COCONUT organism records	15
COCONUT identifier	CNP0196523.1

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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