1-[(3R,5aS,6R,8aS,9R,10R,12R,12aR)-Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] butanedioate

CAS Registry Number®

182824-33-5
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CAS Name

1-[(3R,5aS,6R,8aS,9R,10R,12R,12aR)-Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] butanedioate

Molecular Formula

C19H28O8

Molecular Mass

384.42

Cite this Page

1-[(3R,5aS,6R,8aS,9R,10R,12R,12aR)-Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] butanedioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=182824-33-5 (retrieved 2024-04-18) (CAS RN: 182824-33-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    97.6-98.2 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16+,17-,18-,19-/m1/s1

InChIKey

InChIKey=FIHJKUPKCHIPAT-NKHDUEHSSA-N

SMILES

C[C@@H]1[C@]2([C@]34[C@](O[C@@H]1OC(CCC(O)=O)=O)(O[C@](C)(OO3)CC[C@]4([C@H](C)CC2)[H])[H])[H]

Canonical SMILES

O=C(O)CCC(=O)OC1OC2OC3(OOC24C(CC3)C(C)CCC4C1C)C

Other Names for this Substance

  • Butanedioic acid, 1-[(3R,5aS,6R,8aS,9R,10R,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] ester
  • Butanedioic acid, mono(decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl) ester, [3R-(3α,5aβ,6β,8aβ,9α,10σ,12β,12aR*)]-
  • Butanedioic acid, mono[(3R,5aS,6R,8aS,9R,10R,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] ester
  • 1-[(3R,5aS,6R,8aS,9R,10R,12R,12aR)-Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] butanedioate
  • β-Artesunate

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