(6R)-6-[(1S)-1-[(1R,3aS,3bS,8aR,8bS,10aS)-1,2,3,3a,3b,4,8,8a,8b,9,10,10a-Dodecahydro-8a,10a-dimethyl-8-oxodicyclopenta[a,f]naphthalen-1-yl]ethyl]-5,6-dihydro-3-(hydroxymethyl)-4-methyl-2H-pyran-2-one

CAS Registry Number®

1350448-47-3

CAS Name

(6R)-6-[(1S)-1-[(1R,3aS,3bS,8aR,8bS,10aS)-1,2,3,3a,3b,4,8,8a,8b,9,10,10a-Dodecahydro-8a,10a-dimethyl-8-oxodicyclopenta[a,f]naphthalen-1-yl]ethyl]-5,6-dihydro-3-(hydroxymethyl)-4-methyl-2H-pyran-2-one

Molecular Formula

C27H36O4

Molecular Mass

424.57

Cite this Page

(6R)-6-[(1S)-1-[(1R,3aS,3bS,8aR,8bS,10aS)-1,2,3,3a,3b,4,8,8a,8b,9,10,10a-Dodecahydro-8a,10a-dimethyl-8-oxodicyclopenta[a,f]naphthalen-1-yl]ethyl]-5,6-dihydro-3-(hydroxymethyl)-4-methyl-2H-pyran-2-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1350448-47-3 (retrieved 2024-11-22) (CAS RN: 1350448-47-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H36O4/c1-15-13-23(31-25(30)19(15)14-28)16(2)20-8-9-21-18-7-5-17-6-10-24(29)27(17,4)22(18)11-12-26(20,21)3/h5-6,10,16,18,20-23,28H,7-9,11-14H2,1-4H3/t16-,18-,20+,21-,22-,23+,26+,27-/m0/s1

InChIKey

InChIKey=IBYXDWNHLOGYIN-OSVRZWSTSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@H](C)[C@]5(CC(C)=C(CO)C(=O)O5)[H])(CC4)[H])[H])(CC=C1C=CC2=O)[H])[H]

Canonical SMILES

O=C1OC(CC(=C1CO)C)C(C)C2CCC3C4CC=C5C=CC(=O)C5(C)C4CCC23C

Other Names for this Substance

  • 2H-Pyran-2-one, 6-[(1S)-1-[(1R,3aS,3bS,8aR,8bS,10aS)-1,2,3,3a,3b,4,8,8a,8b,9,10,10a-dodecahydro-8a,10a-dimethyl-8-oxodicyclopenta[a,f]naphthalen-1-yl]ethyl]-5,6-dihydro-3-(hydroxymethyl)-4-methyl-, (6R)-
  • (6R)-6-[(1S)-1-[(1R,3aS,3bS,8aR,8bS,10aS)-1,2,3,3a,3b,4,8,8a,8b,9,10,10a-Dodecahydro-8a,10a-dimethyl-8-oxodicyclopenta[a,f]naphthalen-1-yl]ethyl]-5,6-dihydro-3-(hydroxymethyl)-4-methyl-2H-pyran-2-one
  • Withalongolide F

CAS INSIGHTSTM
Targeted protein degrader structure, illustration