4-Octanone, 3-[(2S,3S,5S)-5-[(1R,3R,4S,6S)-4-ethyl-3,6-dimethyl-2,7-dioxabicyclo[2.2.1]hept-1-yl]tetrahydro-3,5-dimethyl-2-furanyl]-7-[(2S,3S,5R,6S)-6-ethyltetrahydro-6-hydroxy-3,5-dimethyl-2H-pyran-2-yl]-6-hydroxy-5-methyl-, (3R,5S,6S,7S)-

CAS Registry Number®

97671-94-8

CAS Name

4-Octanone, 3-[(2S,3S,5S)-5-[(1R,3R,4S,6S)-4-ethyl-3,6-dimethyl-2,7-dioxabicyclo[2.2.1]hept-1-yl]tetrahydro-3,5-dimethyl-2-furanyl]-7-[(2S,3S,5R,6S)-6-ethyltetrahydro-6-hydroxy-3,5-dimethyl-2H-pyran-2-yl]-6-hydroxy-5-methyl-, (3R,5S,6S,7S)-

Molecular Formula

C33H58O7

Molecular Mass

566.81

Cite this Page

4-Octanone, 3-[(2S,3S,5S)-5-[(1R,3R,4S,6S)-4-ethyl-3,6-dimethyl-2,7-dioxabicyclo[2.2.1]hept-1-yl]tetrahydro-3,5-dimethyl-2-furanyl]-7-[(2S,3S,5R,6S)-6-ethyltetrahydro-6-hydroxy-3,5-dimethyl-2H-pyran-2-yl]-6-hydroxy-5-methyl-, (3R,5S,6S,7S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=97671-94-8 (retrieved 2024-11-22) (CAS RN: 97671-94-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H58O7/c1-12-25(27(35)22(8)26(34)23(9)28-18(4)15-20(6)32(36,14-3)39-28)29-19(5)16-30(11,38-29)33-21(7)17-31(13-2,40-33)24(10)37-33/h18-26,28-29,34,36H,12-17H2,1-11H3

InChIKey

InChIKey=HTVYQCLJTJPTPF-UHFFFAOYSA-N

SMILES

CC1(C23OC(CC)(CC2C)C(C)O3)OC(C(C(C(C(C(C)C4OC(CC)(O)C(C)CC4C)O)C)=O)CC)C(C)C1

Canonical SMILES

O=C(C(C)C(O)C(C)C1OC(O)(CC)C(C)CC1C)C(CC)C2OC(C)(CC2C)C34OC(C)C(O3)(CC)CC4C

Other Names for this Substance

  • 4-Octanone, 3-[(2S,3S,5S)-5-[(1R,3R,4S,6S)-4-ethyl-3,6-dimethyl-2,7-dioxabicyclo[2.2.1]hept-1-yl]tetrahydro-3,5-dimethyl-2-furanyl]-7-[(2S,3S,5R,6S)-6-ethyltetrahydro-6-hydroxy-3,5-dimethyl-2H-pyran-2-yl]-6-hydroxy-5-methyl-, (3R,5S,6S,7S)-
  • Lysocellin, 3-de(carboxymethyl)-20-de(1-hydroxypropyl)-17-deoxy-3-ethyl-20,17-(ethylideneoxy)-
  • Antibiotic X 14889D
  • 4-Octanone, 3-[5-(4-ethyl-3,6-dimethyl-2,7-dioxabicyclo[2.2.1]hept-1-yl)tetrahydro-3,5-dimethyl-2-furanyl]-7-(6-ethyltetrahydro-6-hydroxy-3,5-dimethyl-2H-pyran-2-yl)-6-hydroxy-5-methyl-, [1R-[1α,1[2S*[3R*,5S*,6S*,7S*(2S*,3S*,5R*,6S*)],3S*,5S*],3β,4α,6β]]-

CAS INSIGHTSTM
Targeted protein degrader structure, illustration