Chlorojanerin

CAS Registry Number®

64205-85-2

CAS Name

Chlorojanerin

Molecular Formula

C19H23ClO7

Molecular Mass

398.84

Cite this Page

Chlorojanerin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64205-85-2 (retrieved 2025-08-17) (CAS RN: 64205-85-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    177-178 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H23ClO7/c1-8-4-12(26-17(23)9(2)6-21)14-10(3)18(24)27-16(14)15-11(8)5-13(22)19(15,25)7-20/h11-16,21-22,25H,1-7H2/t11-,12-,13-,14+,15-,16-,19+/m0/s1

InChIKey

InChIKey=UHEMKMBRGXUBMJ-URUZQALBSA-N

SMILES

C(Cl)[C@]1(O)[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(O)(CCl)C2C3OC(=O)C(=C)C13)C(=C)CO

Other Names for this Substance

  • 2-Propenoic acid, 2-(hydroxymethyl)-, (3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester
  • 2-Propenoic acid, 2-(hydroxymethyl)-, 9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, [3aR-(3aα,4α,6aα,8β,9α,9aα,9bβ)]-
  • Azuleno[4,5-b]furan, 2-propenoic acid deriv.
  • Chlorojanerin

Deleted or Replaced CAS Registry Numbers

95672-94-9

CAS INSIGHTSTM
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