![Parthenolide[小白菊内酯]](https://newcny.com/wp-content/uploads/2024/07/20554-84-1.svg)
CAS Registry Number®
20554-84-1
CAS Name
(-)-Parthenolide
Molecular Formula
C15H20O3
Molecular Mass
248.32
Compound Properties
-
Melting Point (1)
115-116 °C
Source(s)
- (1) Herout, V.; Chemistry & Industry (London, United Kingdom), (1959), 1069-70, CAplus
Other Names and Identifiers
InChI
InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13+,15+/m0/s1
InChIKey
InChIKey=KTEXNACQROZXEV-ZRPLFPEYSA-N
SMILES
C[C@]12[C@@]([C@@]3([C@](C(=C)C(=O)O3)(CC/C(/C)=C\CC1)[H])[H])(O2)[H]
Canonical SMILES
O=C1OC2C3OC3(C)CCC=C(C)CCC2C1=C
Other Names for this Substance
- Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, 2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methylene-, (1aR,4E,7aS,10aS,10bR)-
- Germacra-1(10),11(13)-dien-12-oic acid, 4,5α-epoxy-6β-hydroxy-, γ-lactone
- Parthenolide
- (1aR,4E,7aS,10aS,10bR)-2,3,6,7,7a,8,10a,10b-Octahydro-1a,5-dimethyl-8-methyleneoxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one
- (-)-Parthenolide
Deleted or Replaced CAS Registry Numbers
119325-19-8, 120852-67-7, 344906-67-8
