CAS 952579-37-2 Trikamsteroside E - Carboxyl / Alfa Chemistry

Catalog Number	ACM952579372
Product Name	Trikamsteroside E
CAS Number	952579-37-2
IUPAC Name	(1S,2S,3'S,4S,4'S,5'S,6S,7R,8R,9S,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-7-(hydroxymethyl)-5',9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-3',4',16-triol
Molecular Weight	1021.10
Molecular Formula	C48H76O23
Canonical SMILES	CC1COC2(C(C3C(O2)CC4C3(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/C48H76O23/c1-18-13-65-48(39(59)31(18)54)25(12-49)30-28(71-48)11-24-22-6-5-20-9-21(51)10-29(46(20,4)23(22)7-8-45(24,30)3)67-43-38(36(27(53)15-63-43)68-41-34(57)33(56)26(52)14-62-41)70-42-35(58)37(32(55)19(2)66-42)69-44-40(60)47(61,16-50)17-64-44/h5,18-19,21-44,49-61H,6-17H2,1-4H3/t18-,19-,21+,22+,23-,24-,25-,26+,27-,28-,29+,30-,31-,32-,33-,34+,35+,36-,37+,38+,39-,40-,41-,42-,43-,44-,45-,46-,47+,48-/m0/s1
InChIKey	PAUALFMTFPEINK-VZSCNEEOSA-N
Purity	98%
Appearance	Powder