CAS No. 126054-77-1

Atractyloside A Pricing >

 

Product Information

Chemical Formula: C21H36O10
Molecular Weight:448.5
Synonyms:(1S,3Aβ,8Aα)-1-Methyl-1α,4α-Dihydroxy-4-(Hydroxymethyl)-7β-[1-Methyl-1-(β-D-Glucopyranosyloxy)Ethyl]Decahydroazulene-2-One; [(1β,5α)-4β-Methyl-4α,10,14-Trihydroxy-3-Oxo-5-Demethylambrosan-11-Yl]β-D-Glucopyranoside; Atractyloside A; (1S,3As,4R,7R,8Ar)-7-[1-(Beta-D-Glucopyranosyloxy)-1-Methylethyl]Octahydro-1,4-Dihydroxy-4-(Hydroxymethyl)-1-Methyl-2(1H)-Azulenone; 2-[(3S,3Ar,5R,8R,8As)-3,8-Dihydroxy-8-(Hydroxymethyl)-3-Methyl-2- Oxodecahydro-5-Azulenyl]-2-Propanyl β-D-Glucopyranoside
MDL No.:MFCD16621069
EINECS / EC No.:N/A
Pubchem CID:71307451
IUPAC Name:(3S,3aR,5R,8R,8aS)-3,8-dihydroxy-8-(hydroxymethyl)-3-methyl-5-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-3a,4,5,6,7,8a-hexahydro-1H-azulen-2-one
Standard InchI:InChI=1S/C21H36O10/c1-19(2,31-18-17(27)16(26)15(25)13(8-22)30-18)10-4-5-21(29,9-23)12-7-14(24)20(3,28)11(12)6-10/h10-13,15-18,22-23,25-29H,4-9H2,1-3H3/t10-,11-,12+,13-,15-,16+,17-,18+,20+,21+/m1/s1
InchI Key:QNBLVYVBWDIWDM-BSLJOXIBSA-N
SMILES:CC1(C2CC(CCC(C2CC1=O)(CO)O)C(C)(C)OC3C(C(C(C(O3)CO)O)O)O)O
Appearance:White to pale yellow solid
Melting Point:224-226 °C
Boiling Point:684.778 °C at 760 mmHg
Density (Theoretical):1.42
Refractive Index:1.6

Safety Information

Signal Word: Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338
Flash Point:234.092 °C
Transportation Information:N/A
GHS Pictograms:Exclamation Mark - GHS07