Cnicin

CAS Registry Number®

24394-09-0
No image available.

CAS Name

Cnicin

Molecular Formula

C20H26O7

Molecular Mass

378.42

Cite this Page

Cnicin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=24394-09-0 (retrieved 2024-05-02) (CAS RN: 24394-09-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    143 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5-,14-8+/t15-,16-,17+,18+/m0/s1

InChIKey

InChIKey=ZTDFZLVUIVPZDU-CRDVENINSA-N

SMILES

O(C(C([C@H](CO)O)=C)=O)[C@@H]1[C@@]2([C@@](/C=C(/CO)\CC\C=C(\C)/C1)(OC(=O)C2=C)[H])[H]

Canonical SMILES

O=C(OC1CC(=CCCC(=CC2OC(=O)C(=C)C21)CO)C)C(=C)C(O)CO

Other Names for this Substance

  • Butanoic acid, 3,4-dihydroxy-2-methylene-, (3aR,4S,6E,10Z,11aR)-2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (3R)-
  • Cnicin
  • Germacra-1(10),4,11(13)-trien-12-oic acid, 6α,8α,15-trihydroxy-, 12,6-lactone, 8-(3,4-dihydroxy-2-methylenebutyrate), (Z,E)-
  • Butanoic acid, 3,4-dihydroxy-2-methylene-, 2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, [3aR-[3aR*,4S*(R*),6E,10Z,11aR*]]-
  • Butyric acid, 3,4-dihydroxy-2-methylene-, 8-ester with 6α,8α,15-trihydroxygermacra-1(10),4,11(13)-trien-12-oic acid γ-lactone

View All

Deleted or Replaced CAS Registry Numbers

67254-09-5

CAS INSIGHTSTM
Insights teaser
Insights teaser
Insights teaser
Insights teaser