CAS 952579-36-1 Trikamsteroside D - Carboxyl / Alfa Chemistry

Catalog Number	ACM952579361
Product Name	Trikamsteroside D
CAS Number	952579-36-1
IUPAC Name	(1R,2S,3'S,4R,4'R,5'S,6S,7R,8R,9R,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-7-(hydroxymethyl)-5',9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-3-one
Molecular Weight	1035.09
Molecular Formula	C48H74O24
Canonical SMILES	CC1COC2(C(C3C(O2)C(=O)C4C3(CCC5C4CC=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)CO)C(C1O)O
Inchi	InChI=1S/C48H74O24/c1-17-12-66-48(39(60)29(17)54)23(11-49)28-36(72-48)32(57)27-21-6-5-19-9-20(51)10-26(46(19,4)22(21)7-8-45(27,28)3)68-43-38(35(25(53)14-64-43)69-41-33(58)31(56)24(52)13-63-41)71-42-34(59)37(30(55)18(2)67-42)70-44-40(61)47(62,15-50)16-65-44/h5,17-18,20-31,33-44,49-56,58-62H,6-16H2,1-4H3/t17-,18-,20+,21+,22-,23-,24+,25-,26+,27+,28-,29+,30-,31-,33+,34+,35-,36+,37+,38+,39-,40-,41-,42-,43-,44-,45-,46-,47+,48-/m0/s1
InChIKey	FAMHVDBYLLBZKI-UXELGKJKSA-N
Purity	98%
Appearance	Powder