6H-2,7:3,11a-Dimethano-1-benzoxonin-6,12-dione, 2,3,7,7a,8,9,10,11-octahydro-2,7a,11-trihydroxy-4-[(1R)-2-hydroxy-1-methylethyl]-3,7,10-trimethyl-, (2S,3S,7S,7aS,10S,11R,11aR)-

CAS Registry Number®

73613-35-1

CAS Name

6H-2,7:3,11a-Dimethano-1-benzoxonin-6,12-dione, 2,3,7,7a,8,9,10,11-octahydro-2,7a,11-trihydroxy-4-[(1R)-2-hydroxy-1-methylethyl]-3,7,10-trimethyl-, (2S,3S,7S,7aS,10S,11R,11aR)-

Molecular Formula

C20H28O7

Molecular Mass

380.43

Cite this Page

6H-2,7:3,11a-Dimethano-1-benzoxonin-6,12-dione, 2,3,7,7a,8,9,10,11-octahydro-2,7a,11-trihydroxy-4-[(1R)-2-hydroxy-1-methylethyl]-3,7,10-trimethyl-, (2S,3S,7S,7aS,10S,11R,11aR)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=73613-35-1 (retrieved 2024-11-22) (CAS RN: 73613-35-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H28O7/c1-10-5-6-18(25)16(3)9-19(26)17(4,12(7-13(16)22)11(2)8-21)15(24)20(18,27-19)14(10)23/h7,10-11,14,21,23,25-26H,5-6,8-9H2,1-4H3/t10-,11-,14+,16+,17-,18-,19-,20-/m0/s1

InChIKey

InChIKey=BKRBOORGXGTRIL-QZIHVOCISA-N

SMILES

O[C@]12[C@@]3(C(=O)[C@@]4(C)[C@@](O)(O3)C[C@]1(C)C(=O)C=C4[C@H](CO)C)[C@H](O)[C@@H](C)CC2

Canonical SMILES

O=C1C=C(C(C)CO)C2(C(=O)C34OC2(O)CC1(C)C4(O)CCC(C)C3O)C

Other Names for this Substance

  • 6H-2,7:3,11a-Dimethano-1-benzoxonin-6,12-dione, 2,3,7,7a,8,9,10,11-octahydro-2,7a,11-trihydroxy-4-[(1R)-2-hydroxy-1-methylethyl]-3,7,10-trimethyl-, (2S,3S,7S,7aS,10S,11R,11aR)-
  • 4,12-Secoryanodol, 2,3-didehydro-2,3,4,12-tetradeoxy-18-hydroxy-4,12-dioxo-, (13R)-
  • 6H-2,7:3,11a-Dimethano-1-benzoxonin-6,12-dione, 2,3,7,7a,8,9,10,11-octahydro-2,7a,11-trihydroxy-4-(2-hydroxy-1-methylethyl)-3,7,10-trimethyl-, [2S-[2α,3α,4(R*),7β,7aα,10α,11β,11aα]]-
  • Cinncassiol C
  • Cinncassiol C1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration