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Crassostreaxanthin A

ChemSpider ID: 10474678
Molecular Formula: C₄₀H₅₄O₄
Average mass: 598.854004 Da
Monoisotopic mass: 598.401978 Da
Systematic name

(3E,5E,7E,9E,11E,13E,15E)-1-[(2S,3R,5R)-2,3-Dimethyl-5-(2-oxopropyl)tetrahydro-2-furanyl]-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-3,7,12,16-tetramethyl-3,5,7,9,11,13,15-octadecaheptaen-1 7-yn-2-one
SMILES and InChIs

SMILES:

C[C@@]2(CC(=O)C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)C#C\C1=C(/C)C[C@@H](O)C[C@]1(C)C)O[C@H](C[C@H]2C)CC(C)=O Copied

Std. InChI:

InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-37-32(5)23-35(42)26-39(37,8)9)15-11-12-16-29(2)19-14-20-31(4)38(43)27-40(10)33(6)24-36(44-40)25-34(7)41/h11-20,33,35-36,42H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t33-,35-,36-,40+/m1/s1 Copied

Std. InChIKey:

KFNGKYUGHHQDEE-AXWOCEAUSA-N Copied
Cite this record
CSID:10474678, http://www.chemspider.com/Chemical-Structure.10474678.html (accessed 23:21, May 25, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

Crassostreaxanthin A

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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