Methyl (7aS,8R,10S,12R,13aS,13bS)-1,2,3,7,7a,9,10,11,12,13,13a,13b-dodecahydro-10-hydroxy-5,5,7a,10,12,13b-hexamethyl-14-methylene-3,9,11-trioxo-8,12-methanocycloocta[g][2]benzoxepin-8(5H)-carboxylate

CAS Registry Number®

1334495-42-9

CAS Name

Methyl (7aS,8R,10S,12R,13aS,13bS)-1,2,3,7,7a,9,10,11,12,13,13a,13b-dodecahydro-10-hydroxy-5,5,7a,10,12,13b-hexamethyl-14-methylene-3,9,11-trioxo-8,12-methanocycloocta[g][2]benzoxepin-8(5H)-carboxylate

Molecular Formula

C26H34O7

Molecular Mass

458.54

Cite this Page

Methyl (7aS,8R,10S,12R,13aS,13bS)-1,2,3,7,7a,9,10,11,12,13,13a,13b-dodecahydro-10-hydroxy-5,5,7a,10,12,13b-hexamethyl-14-methylene-3,9,11-trioxo-8,12-methanocycloocta[g][2]benzoxepin-8(5H)-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1334495-42-9 (retrieved 2024-11-22) (CAS RN: 1334495-42-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H34O7/c1-14-23(5)13-16-22(4)11-10-17(27)33-21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h9,16,31H,1,10-13H2,2-8H3/t16-,22+,23+,24-,25-,26-/m0/s1

InChIKey

InChIKey=IWYHWTWGKBGNTO-GSISZECUSA-N

SMILES

C(OC)(=O)[C@]12[C@]3(C)[C@]([C@@]4(C)C(=CC3)C(C)(C)OC(=O)CC4)(C[C@](C)(C1=C)C(=O)[C@](C)(O)C2=O)[H]

Canonical SMILES

O=C1OC(C2=CCC3(C)C(CC4(C(=O)C(O)(C(=O)C3(C(=O)OC)C4=C)C)C)C2(C)CC1)(C)C

Other Names for this Substance

  • 8,12-Methanocycloocta[g][2]benzoxepin-8(5H)-carboxylic acid, 1,2,3,7,7a,9,10,11,12,13,13a,13b-dodecahydro-10-hydroxy-5,5,7a,10,12,13b-hexamethyl-14-methylene-3,9,11-trioxo-, methyl ester, (7aS,8R,10S,12R,13aS,13bS)-
  • Methyl (7aS,8R,10S,12R,13aS,13bS)-1,2,3,7,7a,9,10,11,12,13,13a,13b-dodecahydro-10-hydroxy-5,5,7a,10,12,13b-hexamethyl-14-methylene-3,9,11-trioxo-8,12-methanocycloocta[g][2]benzoxepin-8(5H)-carboxylate
  • Berkeleyone B

CAS INSIGHTSTM
Targeted protein degrader structure, illustration