CAS 77658-50-5 Deoxytrillenoside A - Carboxyl / Alfa Chemistry

Catalog Number	ACM77658505
Product Name	Deoxytrillenoside A
CAS Number	77658-50-5
IUPAC Name	(1R,3'S,4R,4'R,5'S,6S,7S,8R,12S,13R,14R,16R)-14-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3',4',16-trihydroxy-5',7,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-2(9),18-diene-6,2'-oxane]-3-one
Molecular Weight	1003.04
Molecular Formula	C47H70O23
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)C)C(C1O)O
Inchi	InChI=1S/C47H70O23/c1-16-11-64-47(39(58)29(16)52)17(2)27-22-7-8-23-21(28(22)32(55)36(27)70-47)6-5-19-9-20(49)10-26(45(19,23)4)66-43-38(35(25(51)13-62-43)67-41-33(56)31(54)24(50)12-61-41)69-42-34(57)37(30(53)18(3)65-42)68-44-40(59)46(60,14-48)15-63-44/h5,16-18,20-21,23-27,29-31,33-44,48-54,56-60H,6-15H2,1-4H3/t16-,17-,18-,20+,21+,23-,24+,25-,26+,27+,29+,30-,31-,33+,34+,35-,36+,37+,38+,39-,40-,41-,42-,43-,44-,45-,46+,47-/m0/s1
InChIKey	DTEXDRWNOZAWNZ-TVBPKDTLSA-N
Purity	98%
Appearance	Powder