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Merck
CN

A9424

Abietic acid

≥65% (GC)

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About This Item

Empirical Formula (Hill Notation):
C20H30O2
CAS Number:
514-10-3
Molecular Weight:
302.45
EC Number:
208-178-3
UNSPSC Code:
12352000
PubChem Substance ID:
24891449
Beilstein/REAXYS Number:
2221451
MDL number:
MFCD03423567

Key Documents

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InChI key

RSWGJHLUYNHPMX-ONCXSQPRSA-N

InChI

1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1

SMILES string

CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2CC1

concentration

≥65% (GC)

mp

139-142 °C (lit.)

Gene Information

human ... TNF(7124)

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pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

Hazard Classifications

Aquatic Acute 1 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
107K2501
086K2501
099F0767
092H0290
051K2611

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Alan Talevi et al.
Bioorganic & medicinal chemistry letters, 17(6), 1684-1690 (2007-01-20)
Linear discriminant analysis was performed to derive discriminant functions based on 2D descriptors and capable of classifying anticonvulsant from non-anticonvulsant compounds. Through application in virtual screening of the discriminant function which performed best in the validation steps, abietic acid was
Xian-Wen Yang et al.
Bioorganic & medicinal chemistry, 18(2), 744-754 (2009-12-22)
Twenty-five new (abiesadines A-Y, 1-25) and 29 known (26-54) diterpenes were isolated from the aerial parts of Abies georgei. Abiesadine A (1) is a novel 8,14-seco-abietane, while abiesadine B (2) is a novel 9,10-seco-abietane. The structures of the new compounds
Simon Janocha et al.
Applied microbiology and biotechnology, 97(17), 7639-7649 (2013-06-25)
Cytochrome P450 enzymes exhibit a tremendous potential for biotechnological applications due to their ability to introduce oxygen into non-activated carbon atoms. Their catalytic diversity is complemented by a broad substrate range covering many natural compounds. Especially the functionalization of terpenoids
Miguel A González et al.
European journal of medicinal chemistry, 44(6), 2468-2472 (2009-02-17)
A series of C18-oxygenated derivatives of abietic acid were synthesized and evaluated for their cytotoxic, antimycotic, and antiviral activities. In general, the introduction of an aldehyde group at C18 did improve the resultant bioactivity, while the presence of an acid
Roberto E Di Paolo et al.
Chemphyschem : a European journal of chemical physics and physical chemistry, 9(15), 2214-2220 (2008-10-03)
The synthesis and photophysical properties of six new abietic acid based amine end-capped p-phenylenevinylene trimers (AECPV3) in their lowest excited singlet states are presented. The AECPV3 compounds show a large red-shift of both the absorption (25-30 nm) and emission (37-42
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