(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,2R,4S)-2-Hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]hept-1-yl]-3,7,12,16-tetramethyl-1-[(2S,3R,5R)-tetrahydro-2,3-dimethyl-5-(2-oxopropyl)-2-furanyl]-3,5,7,9,11,13,15,17-octadecaoctaen-2-one

CAS Registry Number®

256505-51-8

CAS Name

(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,2R,4S)-2-Hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]hept-1-yl]-3,7,12,16-tetramethyl-1-[(2S,3R,5R)-tetrahydro-2,3-dimethyl-5-(2-oxopropyl)-2-furanyl]-3,5,7,9,11,13,15,17-octadecaoctaen-2-one

Molecular Formula

C40H56O5

Molecular Mass

616.87

Cite this Page

(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,2R,4S)-2-Hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]hept-1-yl]-3,7,12,16-tetramethyl-1-[(2S,3R,5R)-tetrahydro-2,3-dimethyl-5-(2-oxopropyl)-2-furanyl]-3,5,7,9,11,13,15,17-octadecaoctaen-2-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=256505-51-8 (retrieved 2024-11-22) (CAS RN: 256505-51-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-40-37(7,8)25-35(45-40)26-39(40,10)43)15-11-12-16-29(2)19-14-20-31(4)36(42)27-38(9)32(5)23-34(44-38)24-33(6)41/h11-22,32,34-35,43H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,34-,35+,38+,39-,40-/m1/s1

InChIKey

InChIKey=YCHOPPKXFCUQHM-YTVYXYHESA-N

SMILES

C(=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C(C[C@]1(C)O[C@@H](CC(C)=O)C[C@H]1C)=O)\C)\C)/C)/C)\[C@@]23O[C@@](CC2(C)C)(C[C@@]3(C)O)[H]

Canonical SMILES

O=C(C(=CC=CC(=CC=CC=C(C=CC=C(C=CC12OC(CC1(O)C)CC2(C)C)C)C)C)C)CC3(OC(CC(=O)C)CC3C)C

Other Names for this Substance

  • 3,5,7,9,11,13,15,17-Octadecaoctaen-2-one, 18-[(1R,2R,4S)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]hept-1-yl]-3,7,12,16-tetramethyl-1-[(2S,3R,5R)-tetrahydro-2,3-dimethyl-5-(2-oxopropyl)-2-furanyl]-, (3E,5E,7E,9E,11E,13E,15E,17E)-
  • (3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,2R,4S)-2-Hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]hept-1-yl]-3,7,12,16-tetramethyl-1-[(2S,3R,5R)-tetrahydro-2,3-dimethyl-5-(2-oxopropyl)-2-furanyl]-3,5,7,9,11,13,15,17-octadecaoctaen-2-one

CAS INSIGHTSTM
Targeted protein degrader structure, illustration