Dehydrosoyasaponin I
CAS Registry Number®
CAS Name
Dehydrosoyasaponin IMolecular Formula
C48H76O18Molecular Mass
941.11Cite this Page
Dehydrosoyasaponin I. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=117210-14-7 (retrieved ) (CAS RN: 117210-14-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C48H76O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-26,28-38,40-42,49-50,52-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1
InChIKey
InChIKey=CROUPKILZUPLQA-ITVSDQETSA-N
SMILES
C[C@]12[C@@]([C@]3(C)[C@@](CC1)([C@](CO)(C)[C@@H](O[C@H]4[C@H](O[C@H]5[C@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)[C@@H](O)[C@@H](O)[C@@H](CO)O5)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)CC3)[H])(CC=C7[C@@]2(C)CC[C@]8(C)[C@]7(CC(C)(C)CC8=O)[H])[H]
Canonical SMILES
O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C)(C)CC(=O)C6(C)CCC5(C)C4(C)CCC3C2(C)CO)C(OC7OC(CO)C(O)C(O)C7OC8OC(C)C(O)C(O)C8O)C(O)C1O
Other Names for this Substance
- β-D-Glucopyranosiduronic acid, (3β,4β)-23-hydroxy-22-oxoolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-
- Oleanane, β-D-glucopyranosiduronic acid deriv.
- (3β,4β)-23-Hydroxy-22-oxoolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-β-D-glucopyranosiduronic acid
- Dehydrosoyasaponin I
- Soyasaponin Be
Deleted or Replaced CAS Registry Numbers
868560-69-4