β-D-Glucopyranosiduronic acid, (3β,4α)-23,28-dioxo-28-[(O-β-D-xylopyranosyl-(1→3)-O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-β-D-galactopyranosyl)oxy]olean-12-en-3-yl 2-O-β-D-galactopyranosyl-

CAS Registry Number®

229484-38-2

CAS Name

β-D-Glucopyranosiduronic acid, (3β,4α)-23,28-dioxo-28-[(O-β-D-xylopyranosyl-(1→3)-O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-β-D-galactopyranosyl)oxy]olean-12-en-3-yl 2-O-β-D-galactopyranosyl-

Molecular Formula

C64H100O31

Molecular Mass

1365.46

Cite this Page

β-D-Glucopyranosiduronic acid, (3β,4α)-23,28-dioxo-28-[(O-β-D-xylopyranosyl-(1→3)-O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-β-D-galactopyranosyl)oxy]olean-12-en-3-yl 2-O-β-D-galactopyranosyl-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=229484-38-2 (retrieved 2024-11-22) (CAS RN: 229484-38-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C64H100O31/c1-24-34(69)38(73)49(93-54-44(79)41(76)46(25(2)87-54)90-53-45(80)47(29(68)22-85-53)91-52-42(77)35(70)28(67)21-84-52)56(86-24)95-58(83)64-17-15-59(3,4)19-27(64)26-9-10-32-60(5)13-12-33(61(6,23-66)31(60)11-14-63(32,8)62(26,7)16-18-64)89-57-50(40(75)39(74)48(92-57)51(81)82)94-55-43(78)37(72)36(71)30(20-65)88-55/h9,23-25,27-50,52-57,65,67-80H,10-22H2,1-8H3,(H,81,82)/t24-,25+,27+,28-,29-,30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-,45-,46+,47+,48+,49-,50-,52+,53+,54+,55+,56+,57-,60+,61+,62-,63-,64+/m1/s1

InChIKey

InChIKey=WTPMILJLGNKZSN-PHBKDXGSSA-N

SMILES

C(O[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@H](O)CO3)[C@H](C)O2)[C@@H](O)[C@@H](O)[C@@H](C)O1)(=O)[C@]56[C@](C=7[C@@](C)(CC5)[C@@]8(C)[C@](CC7)([C@]9(C)[C@@](CC8)([C@@](C=O)(C)[C@@H](O[C@H]%10[C@H](O[C@@H]%11O[C@H](CO)[C@H](O)[C@H](O)[C@H]%11O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O%10)CC9)[H])[H])(CC(C)(C)CC6)[H]

Canonical SMILES

O=CC1(C)C(OC2OC(C(=O)O)C(O)C(O)C2OC3OC(CO)C(O)C(O)C3O)CCC4(C)C1CCC5(C)C4CC=C6C7CC(C)(C)CCC7(C(=O)OC8OC(C)C(O)C(O)C8OC9OC(C)C(OC%10OCC(O)C(OC%11OCC(O)C(O)C%11O)C%10O)C(O)C9O)CCC65C

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,4α)-23,28-dioxo-28-[(O-β-D-xylopyranosyl-(1→3)-O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-β-D-galactopyranosyl)oxy]olean-12-en-3-yl 2-O-β-D-galactopyranosyl-
  • Silenoside A
  • Silenoside A (Silene vulgaris)

CAS INSIGHTSTM
Targeted protein degrader structure, illustration