Lablaboside F

CAS Registry Number®

208390-15-2

CAS Name

Lablaboside F

Molecular Formula

C66H106O31

Molecular Mass

1395.53

Cite this Page

Lablaboside F.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=208390-15-2 (retrieved 2024-11-22) (CAS RN: 208390-15-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C66H106O31/c1-24-34(69)38(73)45(80)54(86-24)92-48-26(3)88-56(47(82)44(48)79)95-51-41(76)37(72)30(23-68)90-58(51)97-60(85)66-19-17-61(4,5)21-28(66)27-11-12-32-63(8)15-14-33(62(6,7)31(63)13-16-65(32,10)64(27,9)18-20-66)91-59-52(43(78)42(77)49(93-59)53(83)84)96-57-50(40(75)36(71)29(22-67)89-57)94-55-46(81)39(74)35(70)25(2)87-55/h11,24-26,28-52,54-59,67-82H,12-23H2,1-10H3,(H,83,84)/t24-,25-,26-,28-,29+,30+,31-,32+,33-,34-,35-,36-,37+,38+,39+,40-,41-,42-,43-,44-,45+,46+,47+,48-,49-,50+,51+,52+,54-,55-,56-,57-,58-,59+,63-,64+,65+,66-/m0/s1

InChIKey

InChIKey=NRWHQLLFSRFPCQ-KBZLXKEOSA-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](O)[C@H](C)O3)[C@H](C)O2)[C@@H](O)[C@H](O)[C@@H](CO)O1)(=O)[C@]45[C@](C=6[C@@](C)(CC4)[C@@]7(C)[C@](CC6)([C@]8(C)[C@@](CC7)(C(C)(C)[C@@H](O[C@H]9[C@H](O[C@H]%10[C@H](O[C@H]%11[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O%11)[C@@H](O)[C@@H](O)[C@@H](CO)O%10)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O9)CC8)[H])[H])(CC(C)(C)CC5)[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7OC8OC(C)C(OC9OC(C)C(O)C(O)C9O)C(O)C8O)CCC54C)C2(C)C)C(OC%10OC(CO)C(O)C(O)C%10OC%11OC(C)C(O)C(O)C%11O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β)-28-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-β-D-glucopyranosyl)oxy]-28-oxoolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-
  • (3β)-28-[(O-6-Deoxy-α-L-mannopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-β-D-glucopyranosyl)oxy]-28-oxoolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→2)-β-D-glucopyranosiduronic acid
  • Lablaboside F

CAS INSIGHTSTM
Targeted protein degrader structure, illustration