Assamsaponin B

CAS Registry Number®

259748-07-7

CAS Name

Assamsaponin B

Molecular Formula

C61H92O28

Molecular Mass

1273.37

Cite this Page

Assamsaponin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=259748-07-7 (retrieved 2024-11-22) (CAS RN: 259748-07-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C61H92O28/c1-11-25(2)51(78)89-48-49(82-27(4)66)61(24-64)29(18-56(48,5)6)28-12-13-34-57(7)16-15-35(58(8,23-63)33(57)14-17-59(34,9)60(28,10)19-36(61)81-26(3)65)84-55-47(88-53-42(74)40(72)39(71)32(20-62)83-53)44(43(75)45(86-55)50(76)77)85-54-46(38(70)31(68)22-80-54)87-52-41(73)37(69)30(67)21-79-52/h11-12,23,29-49,52-55,62,64,67-75H,13-22,24H2,1-10H3,(H,76,77)/b25-11-/t29-,30+,31-,32+,33+,34+,35-,36+,37-,38-,39-,40-,41+,42+,43-,44-,45-,46+,47+,48-,49-,52-,53-,54-,55+,57-,58-,59+,60+,61-/m0/s1

InChIKey

InChIKey=XXBBBGNRVPIJLB-MPAXRIHNSA-N

SMILES

C(O)[C@]12[C@](C=3[C@@](C)(C[C@H]1OC(C)=O)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)([C@@](C=O)(C)[C@@H](O[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@@H](O[C@H]8[C@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)CO9)[C@@H](O)[C@@H](O)CO8)[C@H](O)[C@@H](C(O)=O)O6)CC5)[H])[H])(CC(C)(C)[C@@H](OC(/C(=C\C)/C)=O)[C@@H]2OC(C)=O)[H]

Canonical SMILES

O=CC1(C)C(OC2OC(C(=O)O)C(O)C(OC3OCC(O)C(O)C3OC4OCC(O)C(O)C4O)C2OC5OC(CO)C(O)C(O)C5O)CCC6(C)C1CCC7(C)C6CC=C8C9CC(C)(C)C(OC(=O)C(=CC)C)C(OC(=O)C)C9(CO)C(OC(=O)C)CC87C

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4α,16α,21β,22α)-16,22-bis(acetyloxy)-28-hydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-23-oxoolean-12-en-3-yl O-β-D-galactopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→3)]-
  • β-D-Glucopyranosiduronic acid, (3β,4α,16α,21β,22α)-16,22-bis(acetyloxy)-28-hydroxy-21-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]-23-oxoolean-12-en-3-yl O-β-D-galactopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→3)]-
  • (3β,4α,16α,21β,22α)-16,22-Bis(acetyloxy)-28-hydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-23-oxoolean-12-en-3-yl O-β-D-galactopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→3)]-β-D-glucopyranosiduronic acid
  • Assamsaponin B

CAS INSIGHTSTM
Targeted protein degrader structure, illustration