Diterpenoids

7-Oxodehydroabietic acid

7-羰基脱氢松香酸

PHY-NP-03042 · Natural product research catalog

Catalog number	PHY-NP-03042
CAS number	18684-55-4
Molecular formula	C₂₀H₂₆O₃
Molecular weight	314.425 g/mol
Chemical class	Diterpenoids
Main reported source	Abies pinsapo subsp. marocana
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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100 mg	Request quote	To be confirmed	Confirm in quotation

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7-Oxodehydroabietic 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.

IUPAC name	(1R,4aS,10aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
SMILES	CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2=O)(C)C(=O)O)C
InChIKey	MSWJSDLNPCSSNW-MISYRCLQSA-N
Subclass / scaffold	Podocarpane diterpenoids
PubChem CID	29212

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

View additional properties & classification

Ring count	3
Aromatic rings	1
Fraction Csp³	0.6
Synthetic accessibility score	3.58
QED score	0.871
Lipinski rule violations	0
NPClassifier pathway	Terpenoids
NPClassifier superclass	Diterpenoids
NPClassifier class	Podocarpane diterpenoids
Parent SMILES	CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C
Parent formula	C₂₀H₂₆O₃
Parent molecular weight	314.425
Specified stereocenters	3
Unspecified stereocenters	0

Main reported source	Abies pinsapo subsp. marocana
Reported source families	Pinaceae; Lamiaceae; Cupressaceae

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

View occurrence records & references

LOTUS / Wikidata species	Abies pinsapo subsp. marocana[1]; Anisochilus harmandii[1]; Armillaria mellea[1]; Callicarpa macrophylla[1]; Callicarpa pilosissima[1]; Coleus harmandii[1]; Ferula assa-foetida[1]; Juniperus chinensis[1]; Juniperus sabina[1]; Larix kaempferi[1]; Picea morrisonicola[1]; Pinus densiflora[1]; Pinus massoniana[1]
All reported source families	Pinaceae[5]; Lamiaceae[4]; Cupressaceae[2]; Physalacriaceae[1]; Apiaceae[1]
LOTUS species records	13
LOTUS reference records	12
COCONUT occurrence records	Abies georgei; Abies holophylla; Abies pinsapo subsp. marocana; Anisochilus harmandii; Armillaria mellea; Callicarpa macrophylla; Callicarpa pilosissima; Coleus harmandii; Desmodium uncinatum; Ferula assa-foetida; Juniperus chinensis; Juniperus sabina; Larix kaempferi; Picea morrisonicola; Pinus densiflora; Pinus massoniana; picea morrisonicola
COCONUT organism records	17
COCONUT identifier	CNP0112106.1

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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