Catalog No.:AA000WG8

127-25-3 | 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-

Name: Name:1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-
Brand: AABLOCKS
SKU: AA000WG8
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Technical Information
Properties
Literature
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Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA000WG8

Chemical Name:

1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-

CAS Number:

127-25-3

Molecular Formula:

C21H32O2

Molecular Weight:

316.4776

MDL Number:

MFCD00019100

SMILES:

COC(=O)[C@]1(C)CCC[C@]2([C@H]1CC=C1[C@@H]2CCC(=C1)C(C)C)C

NSC Number:

2141

Properties

Computed Properties

Complexity:

556

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

XLogP3:

5.1

Literature

Title: Synthesis and biological evaluation of dehydroabietic acid derivatives.

Journal: European journal of medicinal chemistry 20100201

Title: Synthesis and biological evaluation of abietic acid derivatives.

Journal: European journal of medicinal chemistry 20090601

Title: Chemical composition and biological activity of a new type of Brazilian propolis: red propolis.

Journal: Journal of ethnopharmacology 20070905

Title: Oxidation products of abietic acid and its methyl ester.

Journal: Journal of natural products 20021101

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Tags:127-25-3 Molecular Formula|127-25-3 MDL|127-25-3 SMILES|127-25-3 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-