Pseudolaric acid B

CAS Registry Number®

82508-31-4

CAS Name

Pseudolaric acid B

Molecular Formula

C23H28O8

Molecular Mass

432.46

Cite this Page

Pseudolaric acid B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82508-31-4 (retrieved 2024-11-24) (CAS RN: 82508-31-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    143-144 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6+/t17-,21+,22+,23-/m0/s1

InChIKey

InChIKey=VDGOFNMYZYBUDT-YDRCMHEVSA-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(OC)=O)CC2

Canonical SMILES

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

Other Names for this Substance

  • 1H-4,9a-Ethanocyclohepta[c]pyran-7-carboxylic acid, 4a-(acetyloxy)-3-[(1E,3E)-4-carboxy-1,3-pentadien-1-yl]-3,4,4a,5,6,9-hexahydro-3-methyl-1-oxo-, 7-methyl ester, (3R,4S,4aS,9aR)-
  • 1H-4,9a-Ethanocyclohepta[c]pyran-7-carboxylic acid, 4a-(acetyloxy)-3-(4-carboxy-1,3-pentadienyl)-3,4,4a,5,6,9-hexahydro-3-methyl-1-oxo-, 7-methyl ester, [3R-[3α(1E,3E),4α,4aα,9aα]]-
  • 1H-4,9a-Ethanocyclohepta[c]pyran-7-carboxylic acid, 4a-(acetyloxy)-3-[(1E,3E)-4-carboxy-1,3-pentadienyl]-3,4,4a,5,6,9-hexahydro-3-methyl-1-oxo-, 7-methyl ester, (3R,4S,4aS,9aR)-
  • Pseudolaric acid B
  • NSC 615488

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