Cynaropicrin

CAS Registry Number®

35730-78-0
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CAS Name

Cynaropicrin

Molecular Formula

C19H22O6

Molecular Mass

346.37

Cite this Page

Cynaropicrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35730-78-0 (retrieved 2024-04-29) (CAS RN: 35730-78-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1

InChIKey

InChIKey=KHSCYOFDKADJDJ-NQLMQOPMSA-N

SMILES

C=C1[C@@]2([C@@]3([C@@]([C@@H](OC(C(CO)=C)=O)CC(=C)[C@@]2(C[C@@H]1O)[H])(C(=C)C(=O)O3)[H])[H])[H]

Canonical SMILES

O=C(OC1CC(=C)C2CC(O)C(=C)C2C3OC(=O)C(=C)C13)C(=C)CO

Other Names for this Substance

  • 2-Propenoic acid, 2-(hydroxymethyl)-, (3aR,4S,6aR,8S,9aR,9bR)-dodecahydro-8-hydroxy-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester
  • 2-Propenoic acid, 2-(hydroxymethyl)-, dodecahydro-8-hydroxy-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, [3aR-(3aα,4α,6aα,8β,9aα,9bβ)]-
  • Cynaropicrin
  • Azuleno[4,5-b]furan, 2-propenoic acid deriv.
  • Cynaropikrin

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