CAS No. 55056-80-9

 

Product Information

Chemical Formula: C51H84O22
Molecular Weight:1049.2
Synonyms:Shengmating; Protodioscin; Protodioson; 26-O-Beta-D-Glycopyranosyl-22-Hydroxyfurost-5-Ene-3Beta,26-Diol-3-O-Beta-Diglucorhamnoside; Protodioscin Snap-N-Shoot 0.1Mg/Ml(P); Protodioscin(P); β-D-Glucopyranoside, (3β,22α,25R)-26-(β-D-Glucopyranosyloxy)-22-Hydroxyfurost-5-En-3-Ylo-6-Deoxy-α-L-Mannopyranosyl-(1?2)-O-[6-Deoxy-α-L-Mannopyranosyl-(1?4)]-; [(22R,25R)-22-Hydroxy-26-(β-D-Glucopyranosyloxy)Furosta-5-Ene-3β-Yl]2-O,4-O-Bis(α-L-Rhamnopyranosyl)-β-D-Glucopyranoside
MDL No.:MFCD03427682
EINECS / EC No.:N/A
Pubchem CID:441891
IUPAC Name:(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Standard InchI:InChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21+,22+,23+,25+,26-,27+,28+,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39-,40-,41-,42+,43-,44-,45-,46+,47+,48-,49+,50+,51-/m1/s1
InchI Key:LVTJOONKWUXEFR-UEZXSUPNSA-N
SMILES:CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O
Appearance:brown yellow powder
Melting Point:N/A
Boiling Point:N/A
Density (Theoretical):1.46 g/cm3
Refractive Index:1.631

Safety Information

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