Soyasaponin Iv

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Catalog Number
ACM108906974
Product Name
Soyasaponin Iv
Structure
Structure
CAS
108906-97-4
Category
Heterocyclic Organic Compound
Synonyms
SOYASAPONIN IV;(4S)-3β-[2-O-(α-L-Arabinopyranosyl)-β-D-glucurono pyranosyloxy]oleana-12-ene-22β,24-diol;[22β,24-Dihydroxyolean-12-en-3β-yl]2-O-(α-L-arabinopyranosyl)-β-D-glucopyranosiduronic acid
IUPAC Name
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
Molecular Weight
767.0
Molecular Formula
C41H66O13
Canonical SMILES
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(CO7)O)O)O)C)C
InChI
InChI=1S/C41H66O13/c1-36(2)16-21-20-8-9-24-38(4)12-11-26(39(5,19-42)23(38)10-13-41(24,7)40(20,6)15-14-37(21,3)25(44)17-36)52-35-32(29(47)28(46)31(53-35)33(49)50)54-34-30(48)27(45)22(43)18-51-34/h8,21-32,34-35,42-48H,9-19H2,1-7H3,(H,49,50)/t21-,22-,23+,24+,25+,26-,27-,28-,29-,30+,31-,32+,34-,35+,37+,38-,39+,40+,41+/m0/s1
InChI Key
LASVNNIDKPXXMG-AOTOZEHFSA-N
Appearance
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