Diterpenoids

12alpha-Hydroxygrandiflorenic acid

12α-羟基大花蟛蜞菊烯酸

PHY-NP-02807 · Natural product research catalog

Catalog number	PHY-NP-02807
CAS number	63768-17-2
Molecular formula	C₂₀H₂₈O₃
Molecular weight	316.441 g/mol
Chemical class	Diterpenoids
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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Product information

12alpha-Hydroxygrandiflorenic acid 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	(1S,4S,5R,9R,12S,13R)-12-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid
SMILES	C[C@@]12CCC[C@@]([C@H]1CC[C@]34C2=C[C@@H]([C@H](C3)C(=C)C4)O)(C)C(=O)O
InChIKey	YKLRBAUBANVECM-SUIOEDAWSA-N
Subclass / scaffold	Kaurane and Phyllocladane diterpenoids Tetracyclic diterpenoids
PubChem CID	13858118

Computed properties

Exact mass (Da)	316.2038	Predicted LogP	3.931
Predicted TPSA (Å²)	57.53	H-bond donors	2
H-bond acceptors	2	Rotatable bonds	1

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

View additional properties & classification

Ring count	4
Aromatic rings	0
Fraction Csp³	0.75
Synthetic accessibility score	6.0
QED score	0.721
Lipinski rule violations	0
NPClassifier pathway	Terpenoids
NPClassifier superclass	Diterpenoids
NPClassifier class	Kaurane and Phyllocladane diterpenoids；Tetracyclic diterpenoids
Parent SMILES	C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)C2=C[C@H](O)[C@@H]1C3
Parent formula	C₂₀H₂₈O₃
Parent molecular weight	316.441
Specified stereocenters	6
Unspecified stereocenters	0

Reported natural occurrence

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

View occurrence records & references

LOTUS species records	0
LOTUS reference records	0
COCONUT organism records	0

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 / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

Request applicable documentation and handling information before ordering or use.