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Diterpenoids

Galanal B

PHY-NP-02343 · Natural product research catalog

Catalog numberPHY-NP-02343
CAS number104113-52-2
Molecular formulaC20H30O3
Molecular weight318.457 g/mol
Chemical classDiterpenoids
Main reported sourceAlpinia galanga
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Galanal B

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Product information

Galanal B is listed in the Diterpenoids 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(4aS,6aS,7R,11aR,11bS)-7-hydroxy-4,4,11b-trimethyl-1,2,3,4a,5,6,7,8,11,11a-decahydrocyclohepta[a]naphthalene-6a,9-dicarbaldehyde
SMILESC[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC=C(C[C@H]3O)C=O)C=O)(C)C
InChIKeyUDKRLAJJSYRYRU-NIMBFUQJSA-N
PubChem CID3086504

Computed properties

Exact mass (Da)318.2195Predicted LogP3.6943
Predicted TPSA (Ų)54.37H-bond donors1
H-bond acceptors3Rotatable bonds2

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

View additional properties & classification
Ring count3
Aromatic rings0
Fraction Csp³0.8
Synthetic accessibility score4.7
QED score0.79
Lipinski rule violations0
NPClassifier pathwayTerpenoids
NPClassifier superclassDiterpenoids
Parent SMILESCC1(C)CCC[C@]2(C)[C@H]3CC=C(C=O)C[C@@H](O)[C@]3(C=O)CC[C@@H]12
Parent formulaC20H30O3
Parent molecular weight318.457
Specified stereocenters5
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceAlpinia galanga
Reported source familiesZingiberaceae

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

View occurrence records & references
LOTUS / Wikidata speciesAlpinia galanga[2]; Zingiber mioga[2]; Aframomum alboviolaceum[1]; Aframomum sulcatum[1]; Aframomum zambesiacum[1]
All reported source familiesZingiberaceae[5]
LOTUS species records5
LOTUS reference records7
COCONUT occurrence recordsAcacia linarioides; Aframomum alboviolaceum; Aframomum sulcatum; Aframomum zambesiacum; Alpinia Galanga; Alpinia galanga; Aquilegia viridiflora; Asterococcus muratae; Astragalus kabadianus; Brombya platynema; Celastrus dispermus; Cerbera odollam; Chondria californica; Cichorium endivia; Clinopodium gracile; Coelogyne flavida; Daphne arisanensis; Gaertnera morindoides; Guadua angustifolia; Guettarda noumeana; Gyrostroma missouriense; Hedychium coronarium; Hexagonia speciosa; Homalium longifolium; Jaborosa leucotricha; Kiggelaria africana; Lippia adoensis; Lucilia caesar; Lupinus luteus; Parmelia tinctina
COCONUT organism records55
COCONUT identifierCNP0144368.5

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

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