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Halocynthiaxanthin

ChemSpider ID: 10140438
Molecular Formula: C₄₀H₅₄O₄
Average mass: 598.85437 Da
Monoisotopic mass: 598.402222 Da
Systematic name

(3S,3'R,5R,6S)-3,3'-Dihydroxy-7',8'-didehydro-5,6,7,8-tetrahydro-5,6-epoxy-β,β-caroten-8-one
SMILES and InChIs

SMILES:

CC3(C)C[C@H](O)CC(\C)=C3\C#CC(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)C(=O)C[C@@]21O[C@]2(C)C[C@@H](O)CC1(C)C Copied

Std. InChI:

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

Std. InChIKey:

CNOIXMULOQWVGR-ABUIXNMTSA-N Copied
Cite this record
CSID:10140438, http://www.chemspider.com/Chemical-Structure.10140438.html (accessed 07:37, Jun 19, 2013) Copied

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

Halocynthiaxanthin

β,β-Carotene-3,3'-diol, 7,8-didehydro-5',6'-epoxy-5',6',7',8'-tetrahydro-8'-oxo-, (3R,3'S,5'R,6'S)-

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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