Ilwensisaponin A

CAS Registry Number®

141896-30-2

CAS Name

Ilwensisaponin A

Molecular Formula

C54H88O21

Molecular Mass

1073.26

Cite this Page

Ilwensisaponin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=141896-30-2 (retrieved 2024-12-23) (CAS RN: 141896-30-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C54H88O21/c1-24-32(58)35(61)38(64)44(68-24)73-41-27(21-56)71-46(40(66)37(41)63)74-42-33(59)25(2)69-47(43(42)75-45-39(65)36(62)34(60)26(20-55)70-45)72-31-11-12-49(5)28(50(31,6)22-57)9-13-51(7)29(49)10-14-54-30-19-48(3,4)15-17-53(30,23-67-54)18-16-52(51,54)8/h10,14,24-47,55-66H,9,11-13,15-23H2,1-8H3/t24-,25+,26+,27+,28+,29+,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42-,43+,44-,45-,46-,47-,49-,50-,51+,52-,53+,54-/m0/s1

InChIKey

InChIKey=FFKHYLGULXFXII-IVWPYUJTSA-N

SMILES

C[C@]12[C@@]3([C@]4([C@@](CO3)(CC1)CCC(C)(C)C4)[H])C=C[C@]5([C@@]2(C)CC[C@@]6([C@]5(C)CC[C@H](O[C@H]7[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O[C@@H]9O[C@H](CO)[C@@H](O[C@H]%10[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O%10)[C@H](O)[C@H]9O)[C@@H](O)[C@@H](C)O7)[C@]6(CO)C)[H])[H]

Canonical SMILES

OCC1OC(OC2C(OC(C)C(O)C2OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)OC5CCC6(C)C7C=CC89OCC%10(CCC(C)(C)CC8%10)CCC9(C)C7(C)CCC6C5(C)CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Galactopyranoside, (3β,4α)-13,28-epoxy-23-hydroxyolean-11-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→2)]-6-deoxy-
  • (3β,4α)-13,28-Epoxy-23-hydroxyolean-11-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→2)]-6-deoxy-β-D-galactopyranoside
  • Mimengoside A
  • Ilwensisaponin A
  • Verbascosaponin

Deleted or Replaced CAS Registry Numbers

74163-66-9

CAS INSIGHTSTM
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