(2S,3R,4R,4aS,5R,7R,8aS)-Octahydro-2,7-dihydroxy-4-(3-hydroxy-1-oxopropyl)-2,4,5,7-tetramethyl-3-[(1R)-1-methylpropyl]-1(2H)-naphthalenone

CAS Registry Number®

85269-23-4

CAS Name

(2S,3R,4R,4aS,5R,7R,8aS)-Octahydro-2,7-dihydroxy-4-(3-hydroxy-1-oxopropyl)-2,4,5,7-tetramethyl-3-[(1R)-1-methylpropyl]-1(2H)-naphthalenone

Molecular Formula

C21H36O5

Molecular Mass

368.51

Cite this Page

(2S,3R,4R,4aS,5R,7R,8aS)-Octahydro-2,7-dihydroxy-4-(3-hydroxy-1-oxopropyl)-2,4,5,7-tetramethyl-3-[(1R)-1-methylpropyl]-1(2H)-naphthalenone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85269-23-4 (retrieved 2024-11-22) (CAS RN: 85269-23-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H36O5/c1-7-12(2)17-20(5,15(23)8-9-22)16-13(3)10-19(4,25)11-14(16)18(24)21(17,6)26/h12-14,16-17,22,25-26H,7-11H2,1-6H3/t12-,13-,14+,16+,17-,19-,20-,21+/m1/s1

InChIKey

InChIKey=PUZNAAVWFXQUDM-HBKHSIGZSA-N

SMILES

C(CCO)(=O)[C@]1(C)[C@@]2([C@@](C(=O)[C@@](C)(O)[C@@]1([C@@H](CC)C)[H])(C[C@](C)(O)C[C@H]2C)[H])[H]

Canonical SMILES

O=C(CCO)C1(C)C2C(C(=O)C(O)(C)C1C(C)CC)CC(O)(C)CC2C

Other Names for this Substance

  • 1(2H)-Naphthalenone, octahydro-2,7-dihydroxy-4-(3-hydroxy-1-oxopropyl)-2,4,5,7-tetramethyl-3-[(1R)-1-methylpropyl]-, (2S,3R,4R,4aS,5R,7R,8aS)-
  • 1(2H)-Naphthalenone, octahydro-2,7-dihydroxy-4-(3-hydroxy-1-oxopropyl)-2,4,5,7-tetramethyl-3-(1-methylpropyl)-, [2S-[2α,3β(S*),4β,4aβ,5β,7α,8aα]]-
  • (2S,3R,4R,4aS,5R,7R,8aS)-Octahydro-2,7-dihydroxy-4-(3-hydroxy-1-oxopropyl)-2,4,5,7-tetramethyl-3-[(1R)-1-methylpropyl]-1(2H)-naphthalenone
  • Betaenone B

CAS INSIGHTSTM
Targeted protein degrader structure, illustration