(2′S,5aS,6R,9aS)-1,5a,6,7,8,9a-Hexahydro-6-(1-methylethyl)-1-oxospiro[2-benzoxepin-9(3H),2′-oxirane]-4-carboxylic acid

CAS Registry Number®

57710-57-3

CAS Name

(2′S,5aS,6R,9aS)-1,5a,6,7,8,9a-Hexahydro-6-(1-methylethyl)-1-oxospiro[2-benzoxepin-9(3H),2′-oxirane]-4-carboxylic acid

Molecular Formula

C15H20O5

Molecular Mass

280.32

Cite this Page

(2′S,5aS,6R,9aS)-1,5a,6,7,8,9a-Hexahydro-6-(1-methylethyl)-1-oxospiro[2-benzoxepin-9(3H),2′-oxirane]-4-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57710-57-3 (retrieved 2024-11-24) (CAS RN: 57710-57-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H20O5/c1-8(2)10-3-4-15(7-20-15)12-11(10)5-9(13(16)17)6-19-14(12)18/h5,8,10-12H,3-4,6-7H2,1-2H3,(H,16,17)/t10-,11-,12-,15-/m1/s1

InChIKey

InChIKey=JESMSCGUTIEROV-RTWAVKEYSA-N

SMILES

O=C1[C@@]2([C@]3(CO3)CC[C@H](C(C)C)[C@]2(C=C(C(O)=O)CO1)[H])[H]

Canonical SMILES

O=C(O)C1=CC2C(C(=O)OC1)C3(OC3)CCC2C(C)C

Other Names for this Substance

  • Spiro[2-benzoxepin-9(3H),2′-oxirane]-4-carboxylic acid, 1,5a,6,7,8,9a-hexahydro-6-(1-methylethyl)-1-oxo-, (2′S,5aS,6R,9aS)-
  • Spiro[2-benzoxepin-9(3H),2′-oxirane]-4-carboxylic acid, 1,5a,6,7,8,9a-hexahydro-6-(1-methylethyl)-1-oxo-, [5aS-(5aα,6α,9β,9aβ)]-
  • (2′S,5aS,6R,9aS)-1,5a,6,7,8,9a-Hexahydro-6-(1-methylethyl)-1-oxospiro[2-benzoxepin-9(3H),2′-oxirane]-4-carboxylic acid
  • Avocettin
  • Heptelidic acid

View All

Deleted or Replaced CAS Registry Numbers

74310-84-2, 84502-40-9

CAS INSIGHTSTM
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