Vernodalin

CAS Registry Number®

21871-10-3
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CAS Name

Vernodalin

Molecular Formula

C19H20O7

Molecular Mass

360.36

Cite this Page

Vernodalin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21871-10-3 (retrieved 2024-09-19) (CAS RN: 21871-10-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H20O7/c1-5-19-6-12(25-16(21)9(2)7-20)13-10(3)18(23)26-15(13)14(19)11(4)17(22)24-8-19/h5,12-15,20H,1-4,6-8H2/t12-,13+,14+,15-,19+/m0/s1

InChIKey

InChIKey=ZSXNBLOPYIJLQV-WSVVRNJXSA-N

SMILES

C(=C)[C@@]12[C@@]([C@@]3([C@@]([C@@H](OC(C(CO)=C)=O)C1)(C(=C)C(=O)O3)[H])[H])(C(=C)C(=O)OC2)[H]

Canonical SMILES

O=C1OCC2(C=C)CC(OC(=O)C(=C)CO)C3C(=C)C(=O)OC3C2C1=C

Other Names for this Substance

  • 2-Propenoic acid, 2-(hydroxymethyl)-, (3aR,4S,5aR,9aR,9bR)-5a-ethenyldecahydro-3,9-bis(methylene)-2,8-dioxo-2H-furo[2,3-f][2]benzopyran-4-yl ester
  • Hydracrylic acid, 2-methylene-, ester with 3aβ,4,5,5a,6,9,9aβ,9bα-octahydro-4β-hydroxy-3,9-dimethylene-5aβ-vinyl-2H-furo[2,3-f][2]benzopyran-2,8(3H)-dione, (+)-
  • 2-Propenoic acid, 2-(hydroxymethyl)-, 5a-ethenyldecahydro-3,9-bis(methylene)-2,8-dioxo-2H-furo[2,3-f][2]benzopyran-4-yl ester, [3aR-(3aα,4α,5aα,9aα,9bβ)]-
  • 2H-Furo[2,3-f][2]benzopyran-2,8(3H)-dione, 3aβ,4,5,5a,6,9,9aβ,9bα-octahydro-4β-hydroxy-3,9-dimethylene-5aβ-vinyl-, 2-methylenehydracrylate, (+)-
  • 2H-Furo[2,3-f][2]benzopyran, 2-propenoic acid deriv.

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Deleted or Replaced CAS Registry Numbers

56064-66-5