CAS No. 23110-15-8

 

Product Information

Chemical Formula: C26H34O7
Molecular Weight:458.54
Synonyms:1-oxaspiro(2,5)oct-6-ylester; 2,4,6,8-decatetraenedioicacid,mono[5-methoxy-4-[2-methyl-3-(3-methyl-2-buteny; 5beta,6beta(all-e)]]-theta; 6,8-decatetraenedioicacid,4-(1,2-epoxy-1,5-dimethyl-4-hexenyl)-5-methoxy-4; amebacillin; fugilin; fumidil; h-3
MDL No.:MFCD03990453
EINECS / EC No.:245-433-8
Pubchem CID:6917655
IUPAC Name:(2E,4E,6E,8E)-10-[[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acid
Standard InchI:InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+/t19-,20-,23-,24-,25+,26+/m1/s1
InchI Key:NGGMYCMLYOUNGM-CSDLUJIJSA-N
SMILES:CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)C=CC=CC=CC=CC(=O)O)OC)C
Appearance:white powder
Melting Point:194-195 °C
Boiling Point:484.03 °C (rough estimate)
Density (Theoretical):1.1368 (rough estimate)
Solubility:ethanol: 1 mg/mL
Refractive Index: 1.5800 (estimate)

Safety Information

Signal Word: Danger
Hazard Statements:H225-H302-H312-H319-H332
Precautionary Statements:P210-P280-P305+P351+P338
Flash Point:2 °C
Transportation Information:UN 1648 3/ PG II
GHS Pictograms:Health Hazard - GHS08