Pseudolaric acid A

CAS Registry Number®

82508-32-5
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CAS Name

Pseudolaric acid A

Molecular Formula

C22H28O6

Molecular Mass

388.45

Cite this Page

Pseudolaric acid A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82508-32-5 (retrieved 2024-08-07) (CAS RN: 82508-32-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    206-207 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/b10-5+,15-6+/t17-,20+,21+,22-/m0/s1

InChIKey

InChIKey=GOHMRMDXUXWCDQ-MPVZDDSSSA-N

SMILES

O(C(C)=O)[C@]12[C@]3(C(=O)O[C@@](/C=C/C=C(/C(O)=O)\C)(C)[C@@]1(CC3)[H])CC=C(C)CC2

Canonical SMILES

O=C(O)C(=CC=CC1(OC(=O)C23CC=C(C)CCC3(OC(=O)C)C1CC2)C)C

Other Names for this Substance

  • 2,4-Pentadienoic acid, 5-[(3R,4S,4aS,9aR)-4a-(acetyloxy)-3,4,4a,5,6,9-hexahydro-3,7-dimethyl-1-oxo-1H-4,9a-ethanocyclohepta[c]pyran-3-yl]-2-methyl-, (2E,4E)-
  • 2,4-Pentadienoic acid, 5-[4a-(acetyloxy)-3,4,4a,5,6,9-hexahydro-3,7-dimethyl-1-oxo-1H-4,9a-ethanocyclohepta[c]pyran-3-yl]-2-methyl-, [3α(2E,4E),4α,4aα,9aα]-(-)-
  • 1H-4,9a-Ethanocyclohepta[c]pyran, 2,4-pentadienoic acid deriv.
  • (2E,4E)-5-[(3R,4S,4aS,9aR)-4a-(Acetyloxy)-3,4,4a,5,6,9-hexahydro-3,7-dimethyl-1-oxo-1H-4,9a-ethanocyclohepta[c]pyran-3-yl]-2-methyl-2,4-pentadienoic acid
  • Pseudolaric acid A

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