Polyphyllin VII

CAS	76296-75-8
Structure
IUPAC Name	(2S,3R,4R,5R,6S)-2-[(2S,3S,4S,5S,6S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,6S,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
Molecular Weight	1049.2
Molecular Formula	C51H84O22
Canonical SMILES	C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@@H]6[C@H]([C@@H]([C@H]([C@@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H](O7)CO)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)C)C)O[C@]1(CC[C@@H](C)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC
InChI	InChI=1S/C51H84O22/c1-21(20-65-45-40(61)38(59)35(56)30(17-52)68-45)9-14-51(64-6)22(2)33-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,4)27(26)11-13-50(28,33)5)67-48-42(63)44(72-46-41(62)37(58)34(55)23(3)66-46)43(32(19-54)70-48)71-47-39(60)36(57)31(18-53)69-47/h7,21-23,25-48,52-63H,8-20H2,1-6H3/t21-,22+,23+,25+,26-,27+,28+,29+,30-,31+,32+,33+,34+,35-,36+,37-,38+,39-,40-,41-,42+,43+,44+,45-,46+,47+,48+,49+,50+,51+/m1/s1
InChI Key	GJHYVTIBXQFLKG-UAOMXDAVSA-N
Purity	98%
Density	1.45 g/ml
Appearance	Powder