Pulsatilla Saponin H

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Catalog Number ACM68027145
CAS 68027-14-5
IUPAC Name [(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-10-[(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-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular Weight 1383.5
Molecular Formula C65H106O31
Canonical SMILES CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)CO)OC8C(C(C(CO8)OC9C(C(C(C(O9)CO)O)O)O)O)OC1C(C(C(C(O1)C)O)O)O)C)(C)C)COC1C(C(C(C(O1)CO)O)O)O)O)O)O
Inchi InChI=1S/C65H106O31/c1-25-36(69)41(74)47(80)54(87-25)94-51-32(23-85-53-46(79)43(76)38(71)29(20-66)89-53)92-57(50(83)45(51)78)96-59(84)65-17-15-60(3,4)19-28(65)27-9-10-34-61(5)13-12-35(62(6,24-68)33(61)11-14-64(34,8)63(27,7)16-18-65)93-58-52(95-55-48(81)42(75)37(70)26(2)88-55)40(73)31(22-86-58)91-56-49(82)44(77)39(72)30(21-67)90-56/h9,25-26,28-58,66-83H,10-24H2,1-8H3/t25-,26-,28-,29+,30+,31-,32+,33+,34+,35-,36-,37-,38+,39+,40-,41+,42+,43-,44-,45+,46+,47+,48+,49+,50+,51+,52+,53+,54-,55-,56-,57-,58-,61-,62-,63+,64+,65-/m0/s1
InChIKey NYAMJIKFXJLBLC-XESJUBLRSA-N
Purity 98%
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