CAS 1909-91-7 | 1-Naphthalenecarboxylic acid, decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-, (1S,4aR,5S,8aR)- | CAS Number 1909-91-7

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1909-91-7 | 1-Naphthalenecarboxylic acid, decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-, (1S,4aR,5S,8aR)-

CAS No: 1909-91-7 Catalog No: AG002EWZ MDL No:MFCD03427708

Product Description

Catalog Number:

AG002EWZ

Chemical Name:

1-Naphthalenecarboxylic acid, decahydro-5-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-1,4a-dimethyl-6-methylene-, (1S,4aR,5S,8aR)-

CAS Number:

1909-91-7

Molecular Formula:

C20H32O3

Molecular Weight:

320.4663

MDL Number:

MFCD03427708

IUPAC Name:

(1S,4aR,5S,8aR)-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

InChI:

InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1

InChI Key:

DOYKMKZYLAAOGH-DOEMEAPXSA-N

SMILES:

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

Properties

Complexity:

507

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

320.235g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

320.473g/mol

Monoisotopic Mass:

320.235g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6

Literature

Title	Journal
Activation of transient receptor potential ankyrin-1 (TRPA1) in lung cells by wood smoke particulate material.	Chemical research in toxicology 20130520
Anti-mycobacterial natural products from the Canadian medicinal plant Juniperus communis.	Journal of ethnopharmacology 20120928
Isolation, chemical, and biotransformation routes of labdane-type diterpenes.	Chemical reviews 20110810
Isocupressic acid blocks progesterone production from bovine luteal cells.	The American journal of Chinese medicine 20020101