Pulsatilla saponin D

CAS	848784-85-0
Structure
Synonyms	Lup-20(29)-en-28-oic acid
IUPAC Name	(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-8-(hydroxymethyl)-9-[(2S,3R,4S,5S)-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
Molecular Weight	440.7
Molecular Formula	C30H48O2
Canonical SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@@]4([C@H]5CC[C@@H]6[C@H]7[C@@H](CC[C@@]7(CC[C@]6([C@@]5(CC[C@H]4[C@]3(C)CO)C)C)C(=O)O)C(=C)C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O
InChI	InChI=1S/C47H76O17/c1-21(2)23-10-15-47(42(57)58)17-16-45(6)24(30(23)47)8-9-28-43(4)13-12-29(44(5,20-49)27(43)11-14-46(28,45)7)63-41-38(64-39-36(55)34(53)31(50)22(3)60-39)33(52)26(19-59-41)62-40-37(56)35(54)32(51)25(18-48)61-40/h22-41,48-56H,1,8-20H2,2-7H3,(H,57,58)/t22-,23-,24+,25+,26-,27+,28+,29-,30+,31-,32+,33-,34+,35-,36+,37+,38+,39-,40-,41-,43-,44-,45+,46+,47-/m0/s1
InChI Key	XFCSYQCYIKSNBB-WZGBEVHGSA-N
Melting Point	250-252 °C
Purity	98%
Density	1.39±0.1 g/ml
Appearance	Powder