CAS 58809-09-9 Trillenoside A - Carboxyl / Alfa Chemistry

Catalog Number	ACM58809099
Product Name	Trillenoside A
CAS Number	58809-09-9
IUPAC Name	(1~{R},3'~{S},4~{R},4'~{R},5'~{S},6~{S},7~{R},8~{R},12~{S},13~{R},14~{R},16~{R})-14-[(2~{S},3~{R},4~{S},5~{S})-3-[(2~{S},3~{R},4~{R},5~{S},6~{S})-4-[(2~{S},3~{R},4~{R})-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-4-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3',4',16-trihydroxy-7-(hydroxymethyl)-5',13-dimethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-2(9),18-diene-6,2'-oxane]-3-one
Molecular Weight	1019.05
Molecular Formula	C47H70O24
Canonical SMILES	CC1COC2(C(C3C(O2)C(=O)C4=C3CCC5C4CC=C6C5(C(CC(C6)O)OC7C(C(C(CO7)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)C)O)OC2C(C(CO2)(CO)O)O)O)C)CO)C(C1O)O
Inchi	InChI=1S/C47H70O24/c1-16-11-65-47(39(59)29(16)53)23(10-48)28-21-6-7-22-20(27(21)32(56)36(28)71-47)5-4-18-8-19(50)9-26(45(18,22)3)67-43-38(35(25(52)13-63-43)68-41-33(57)31(55)24(51)12-62-41)70-42-34(58)37(30(54)17(2)66-42)69-44-40(60)46(61,14-49)15-64-44/h4,16-17,19-20,22-26,28-31,33-44,48-55,57-61H,5-15H2,1-3H3/t16-,17-,19+,20+,22-,23-,24+,25-,26+,28-,29+,30-,31-,33+,34+,35-,36+,37+,38+,39-,40-,41-,42-,43-,44-,45-,46+,47-/m0/s1
InChIKey	DDFDNHCZISHVDX-UTWIKJIVSA-N
Purity	98%
Appearance	Powder