β-D-Glucopyranoside, (3β,12β,24R)-20-(β-D-glucopyranosyloxy)-24-hydroperoxy-12-hydroxydammar-25-en-3-yl 2-O-β-D-glucopyranosyl-

CAS Registry Number®

227758-58-9

CAS Name

β-D-Glucopyranoside, (3β,12β,24R)-20-(β-D-glucopyranosyloxy)-24-hydroperoxy-12-hydroxydammar-25-en-3-yl 2-O-β-D-glucopyranosyl-

Molecular Formula

C48H82O20

Molecular Mass

979.15

Cite this Page

β-D-Glucopyranoside, (3β,12β,24R)-20-(β-D-glucopyranosyloxy)-24-hydroperoxy-12-hydroxydammar-25-en-3-yl 2-O-β-D-glucopyranosyl-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=227758-58-9 (retrieved 2024-11-22) (CAS RN: 227758-58-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H82O20/c1-21(2)24(68-61)10-16-48(8,67-42-39(60)36(57)33(54)26(19-50)63-42)22-9-14-47(7)31(22)23(52)17-29-45(5)13-12-30(44(3,4)28(45)11-15-46(29,47)6)65-43-40(37(58)34(55)27(20-51)64-43)66-41-38(59)35(56)32(53)25(18-49)62-41/h22-43,49-61H,1,9-20H2,2-8H3/t22-,23+,24+,25+,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43-,45-,46+,47+,48-/m0/s1

InChIKey

InChIKey=QCCQLRNQOAQMKU-JILVCPBLSA-N

SMILES

C[C@]12[C@@]3(C)[C@@]([C@@]([C@@](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)(CC[C@H](C(C)=C)OO)C)(CC3)[H])([C@H](O)C[C@@]1([C@]5(C)[C@@](CC2)(C(C)(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](O)[C@@H](CO)O6)CC5)[H])[H])[H]

Canonical SMILES

OOC(C(=C)C)CCC(OC1OC(CO)C(O)C(O)C1O)(C)C2CCC3(C)C2C(O)CC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)C(C)(C)C5CCC43C

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,12β,24R)-20-(β-D-glucopyranosyloxy)-24-hydroperoxy-12-hydroxydammar-25-en-3-yl 2-O-β-D-glucopyranosyl-

CAS INSIGHTSTM
Targeted protein degrader structure, illustration