Benzoic acid, 4-hydroxy-, (1aR,1bR,2R,4R,5aS,6R,6aR)-2,4-diethoxyoctahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-6-yl ester, rel-

CAS Registry Number®

96944-53-5

CAS Name

Benzoic acid, 4-hydroxy-, (1aR,1bR,2R,4R,5aS,6R,6aR)-2,4-diethoxyoctahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-6-yl ester, rel-

Molecular Formula

C20H26O8

Molecular Mass

394.42

Cite this Page

Benzoic acid, 4-hydroxy-, (1aR,1bR,2R,4R,5aS,6R,6aR)-2,4-diethoxyoctahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-6-yl ester, rel-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96944-53-5 (retrieved 2024-11-08) (CAS RN: 96944-53-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C20H26O8/c1-3-24-14-9-13-15(19(26-14)25-4-2)20(10-21)17(28-20)16(13)27-18(23)11-5-7-12(22)8-6-11/h5-8,13-17,19,21-22H,3-4,9-10H2,1-2H3/t13-,14+,15-,16+,17+,19+,20-/s2

InChIKey

InChIKey=MQCIJEYGQHWJFX-AODVOTJMNA-N

SMILES

C(O)[C@@]12[C@@](O1)([C@@H](OC(=O)C3=CC=C(O)C=C3)[C@]4([C@@]2([C@@H](OCC)O[C@H](OCC)C4)[H])[H])[H]

Canonical SMILES

O=C(OC1C2OC2(CO)C3C(OCC)OC(OCC)CC13)C4=CC=C(O)C=C4

Other Names for this Substance

  • Benzoic acid, 4-hydroxy-, (1aR,1bR,2R,4R,5aS,6R,6aR)-2,4-diethoxyoctahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-6-yl ester, rel-
  • Benzoic acid, 4-hydroxy-, 2,4-diethoxyoctahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-6-yl ester, (1aα,1bβ,2α,4β,5aβ,6β,6aα)-(±)-
  • Benzoic acid, 4-hydroxy-, 2,4-diethoxyoctahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-6-yl ester, (1aα,1bβ,2α,4β,5aβ,6β,6aα)-
  • Oxireno[4,5]cyclopenta[1,2-c]pyran, benzoic acid deriv.
  • (±)-Specionin

CAS INSIGHTSTM
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