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Quesnoin

ChemSpider ID: 21105581
Molecular Formula: C₂₀H₃₀O₄
Average mass: 334.449799 Da
Monoisotopic mass: 334.214417 Da
Systematic name

(1R,4S,5S,9S,10S,13S,15S,17R)-13-Hydroxy-5,9-dimethyl-16-oxapentacyclo[13.2.1.0^1,10.0^4,9.0^13,17]octadecane-5-carboxylic acid
SMILES and InChIs

SMILES:

OC(=O)[C@@]5(C)CCC[C@]1(C)[C@@H]5CC[C@@]24C[C@H]3C[C@@](O)(CC[C@@H]12)[C@@H]4O3 Copied

Std. InChI:

InChI=1S/C20H30O4/c1-17-6-3-7-18(2,16(21)22)13(17)4-8-19-10-12-11-20(23,15(19)24-12)9-5-14(17)19/h12-15,23H,3-11H2,1-2H3,(H,21,22)/t12-,13-,14-,15+,17+,18-,19+,20-/m0/s1 Copied

Std. InChIKey:

KVZUXTIZQSVUTI-VFJLVGHCSA-N Copied
Cite this record
CSID:21105581, http://www.chemspider.com/Chemical-Structure.21105581.html (accessed 00:14, May 19, 2013) Copied

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Quesnoin

(1R,4S,5S,9S,10S,13S,15S,17R)-13-Hydroxy-5,9-dimethyl-16-oxapentacyclo[13.2.1.0^1,10.0^4,9.0^13,17]octadecane-5-carboxylic acid

4H-2,3b-methanophenanthro[1,2-b]furan-6-carboxylic acid, tetradecahydro-11a-hydroxy-6,9a-dimethyl-, (2S,3aR,3bR,5aS,6S,9aS,9bS,11aS)-

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

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