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Sesquiterpenoids

Reneilmol

(-)-6α,7α,10α-三羟基异胡萝卜烷

PHY-NP-03623 · Natural product research catalog

Catalog numberPHY-NP-03623
CAS number260968-11-4
Molecular formulaC15H28O3
Molecular weight256.386 g/mol
Chemical classSesquiterpenoids
Main reported sourceRenealmia cincinnata
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Reneilmol

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Product information

Reneilmol 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

IUPAC name(3S,3aS,4R,5S,8R,8aR)-5,8a-dimethyl-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-4,5,8-triol
SMILESCC(C)[C@@H]1CC[C@@]2([C@H]1[C@H]([C@@](CC[C@H]2O)(C)O)O)C
InChIKeyXUVQJFBJHKRROA-ZYIYBEKCSA-N
Subclass / scaffoldEudesmane sesquiterpenoids
PubChem CID91895383

Computed properties

Exact mass (Da)256.2038Predicted LogP1.9415
Predicted TPSA (Ų)60.69H-bond donors3
H-bond acceptors3Rotatable bonds1

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

View additional properties & classification
Ring count2
Aromatic rings0
Fraction Csp³1.0
Synthetic accessibility score4.28
QED score0.672
Lipinski rule violations0
NPClassifier pathwayTerpenoids
NPClassifier superclassSesquiterpenoids
NPClassifier classEudesmane sesquiterpenoids
Parent SMILESCC(C)[C@@H]1CC[C@]2(C)[C@H]1[C@@H](O)[C@@](C)(O)CC[C@H]2O
Parent formulaC15H28O3
Parent molecular weight256.386
Specified stereocenters6
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceRenealmia cincinnata
Reported source familiesZingiberaceae

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

View occurrence records & references
LOTUS / Wikidata speciesRenealmia cincinnata[1]
All reported source familiesZingiberaceae[1]
LOTUS species records1
LOTUS reference records1
COCONUT occurrence recordsRenealmia cincinnata
COCONUT organism records1
COCONUT identifierCNP0243140.3

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.