Soyasaponin IV

CAS Registry Number®

108906-97-4

CAS Name

Soyasaponin IV

Molecular Formula

C41H66O13

Molecular Mass

766.95

Cite this Page

Soyasaponin IV.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=108906-97-4 (retrieved 2024-09-28) (CAS RN: 108906-97-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=LASVNNIDKPXXMG-AOTOZEHFSA-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](O)[C@@H](O)CO5)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)CC3)[H])(CC=C6[C@@]2(C)CC[C@]7(C)[C@]6(CC(C)(C)C[C@H]7O)[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CC(O)C6(C)CCC54C)C2(C)CO)C(OC7OCC(O)C(O)C7O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4β,22β)-22,23-dihydroxyolean-12-en-3-yl 2-O-α-L-arabinopyranosyl-
  • (3β,4β,22β)-22,23-Dihydroxyolean-12-en-3-yl 2-O-α-L-arabinopyranosyl-β-D-glucopyranosiduronic acid
  • Soyasaponin IV
  • Soysaponin IV

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