Catalog No.:AA00G4TA

84638-55-1 | 2-Propenoic acid,3-[(1R,4S,7R,7aR)-1-(acetyloxy)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-, (2E)-

Name: Name:2-Propenoic acid,3-[(1R,4S,7R,7aR)-1-(acetyloxy)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-, (2E)-
Brand: AABLOCKS
SKU: AA00G4TA
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Technical Information
Properties
Literature
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Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA00G4TA

Chemical Name:

2-Propenoic acid,3-[(1R,4S,7R,7aR)-1-(acetyloxy)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-, (2E)-

CAS Number:

84638-55-1

Molecular Formula:

C17H24O4

Molecular Weight:

292.3701

MDL Number:

MFCD03093738

SMILES:

CC(=O)O[C@@H]1CC(=C2[C@H]1[C@H](C)CC[C@H]2/C=C(/C(=O)O)\C)C

Properties

Computed Properties

Complexity:

515

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

XLogP3:

2.7

Literature

Title: Gabriele Trauner, et al. Modulation of GABAA receptors by valerian extracts is related to the content of valerenic acid. Planta Med. 2008 Jan;74(1):19-24.

Title: Tania Lefebvre, et al. In vitro activity of commercial valerian root extracts against human cytochrome P450 3A4. J Pharm Pharm Sci. 2004 Aug 12;7(2):265-73.

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SDS