(3β,7β,19α,21β)-3-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-7,19-dihydroxy-13-methyl-A′-neo-26,28-dinorgammacer-9(11)-ene-17-carboxaldehyde

CAS Registry Number®

1338588-94-5

CAS Name

(3β,7β,19α,21β)-3-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-7,19-dihydroxy-13-methyl-A′-neo-26,28-dinorgammacer-9(11)-ene-17-carboxaldehyde

Molecular Formula

C42H68O14

Molecular Mass

796.98

Cite this Page

(3β,7β,19α,21β)-3-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-7,19-dihydroxy-13-methyl-A′-neo-26,28-dinorgammacer-9(11)-ene-17-carboxaldehyde.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1338588-94-5 (retrieved 2024-11-22) (CAS RN: 1338588-94-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H68O14/c1-19(2)21-14-23(46)35-41(7)11-8-20-28(40(41,6)12-13-42(21,35)18-44)22(45)15-26-38(3,4)27(9-10-39(20,26)5)56-37-34(52)32(50)30(48)25(55-37)17-53-36-33(51)31(49)29(47)24(16-43)54-36/h8,18-19,21-37,43,45-52H,9-17H2,1-7H3/t21-,22-,23+,24+,25+,26-,27-,28-,29+,30+,31-,32-,33+,34+,35+,36+,37-,39+,40-,41+,42+/m0/s1

InChIKey

InChIKey=LILZAHFTZBUNDM-REZAIECBSA-N

SMILES

C(=O)[C@]12[C@@]([C@]3(C)[C@@](C)(CC1)[C@]4(C(=CC3)[C@]5(C)[C@@](C[C@@H]4O)(C(C)(C)[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC5)[H])[H])([C@H](O)C[C@H]2C(C)C)[H]

Canonical SMILES

O=CC12CCC3(C)C4C(=CCC3(C)C2C(O)CC1C(C)C)C5(C)CCC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CC4O

Other Names for this Substance

  • A′-Neo-26,28-dinorgammacer-9(11)-ene-17-carboxaldehyde, 3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-7,19-dihydroxy-13-methyl-, (3β,7β,19α,21β)-
  • (3β,7β,19α,21β)-3-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-7,19-dihydroxy-13-methyl-A′-neo-26,28-dinorgammacer-9(11)-ene-17-carboxaldehyde

CAS INSIGHTSTM
Targeted protein degrader structure, illustration