rel-(+)-Methyl (3E,3aR,4aR,6R,7R,7aR,9aR,9bR)-3-ethylidene-3,3a,4a,7,7a,9b-hexahydro-6-hydroxy-2-oxo-2H,6H-1,4,5-trioxadicyclopent[a,hi]indene-7-carboxylate

CAS Registry Number®

51820-82-7

CAS Name

rel-(+)-Methyl (3E,3aR,4aR,6R,7R,7aR,9aR,9bR)-3-ethylidene-3,3a,4a,7,7a,9b-hexahydro-6-hydroxy-2-oxo-2H,6H-1,4,5-trioxadicyclopent[a,hi]indene-7-carboxylate

Molecular Formula

C15H16O7

Molecular Mass

308.28

Cite this Page

rel-(+)-Methyl (3E,3aR,4aR,6R,7R,7aR,9aR,9bR)-3-ethylidene-3,3a,4a,7,7a,9b-hexahydro-6-hydroxy-2-oxo-2H,6H-1,4,5-trioxadicyclopent[a,hi]indene-7-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51820-82-7 (retrieved 2024-11-22) (CAS RN: 51820-82-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H16O7/c1-3-6-10-15(22-11(6)16)5-4-7-8(12(17)19-2)13(18)21-14(20-10)9(7)15/h3-5,7-10,13-14,18H,1-2H3/b6-3+/t7-,8-,9-,10+,13+,14+,15+/m0/s1

InChIKey

InChIKey=UEOKCUGZTJHPBW-FNIPEDCFSA-N

SMILES

C(\C)=C/1\[C@@]2([C@@]3([C@]4([C@@](C=C3)([C@@H](C(OC)=O)[C@H](O)O[C@]4(O2)[H])[H])[H])OC1=O)[H]

Canonical SMILES

O=C1OC23C=CC4C(C(=O)OC)C(O)OC(OC2C1=CC)C43

Other Names for this Substance

  • 2H,6H-1,4,5-Trioxadicyclopent[a,hi]indene-7-carboxylic acid, 3-ethylidene-3,3a,4a,7,7a,9b-hexahydro-6-hydroxy-2-oxo-, methyl ester, (3E,3aR,4aR,6R,7R,7aR,9aR,9bR)-rel-(+)-
  • 2H,6H-1,4,5-Trioxadicyclopent[a,hi]indene-7-carboxylic acid, 3-ethylidene-3,3a,4a,7,7a,9b-hexahydro-6-hydroxy-2-oxo-, methyl ester, (3E,3aα,4aβ,6β,7α,7aβ,9aR*,9bβ)-(+)-
  • rel-(+)-Methyl (3E,3aR,4aR,6R,7R,7aR,9aR,9bR)-3-ethylidene-3,3a,4a,7,7a,9b-hexahydro-6-hydroxy-2-oxo-2H,6H-1,4,5-trioxadicyclopent[a,hi]indene-7-carboxylate
  • Allamandin
  • NSC 251690

CAS INSIGHTSTM
Targeted protein degrader structure, illustration