Vernodalol

CAS Registry Number®

65388-17-2
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CAS Name

Vernodalol

Molecular Formula

C20H24O8

Molecular Mass

392.40

Cite this Page

Vernodalol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=65388-17-2 (retrieved 2024-06-26) (CAS RN: 65388-17-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    133-134 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H24O8/c1-6-20-7-13(28-17(23)10(2)8-21)14(11(3)18(24)26-5)16(22)15(20)12(4)19(25)27-9-20/h6,13-16,21-22H,1-4,7-9H2,5H3/t13-,14+,15+,16-,20+/m0/s1

InChIKey

InChIKey=FZALQGCQQJLGKE-BBNZOYGDSA-N

SMILES

C(=C)[C@@]12[C@@]([C@@H](O)[C@H](C(C(OC)=O)=C)[C@@H](OC(C(CO)=C)=O)C1)(C(=C)C(=O)OC2)[H]

Canonical SMILES

O=C(OC)C(=C)C1C(O)C2C(=C)C(=O)OCC2(C=C)CC1OC(=O)C(=C)CO

Other Names for this Substance

  • 1H-2-Benzopyran-6-acetic acid, 8a-ethenyloctahydro-5-hydroxy-7-[[2-(hydroxymethyl)-1-oxo-2-propen-1-yl]oxy]-α,4-bis(methylene)-3-oxo-, methyl ester, (4aR,5R,6S,7S,8aR)-
  • 1H-2-Benzopyran-6-acetic acid, 8a-ethenyloctahydro-5-hydroxy-7-[[2-(hydroxymethyl)-1-oxo-2-propenyl]oxy]-α,4-bis(methylene)-3-oxo-, methyl ester, [4aR-(4aα,5α,6β,7α,8aα)]-
  • 1H-2-Benzopyran-6-acetic acid, 8a-ethenyloctahydro-5-hydroxy-7-[[2-(hydroxymethyl)-1-oxo-2-propenyl]oxy]-α,4-bis(methylene)-3-oxo-, methyl ester, (4aR,5R,6S,7S,8aR)-
  • Vernodalol

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