1H-Cyclopenta[c]pyridin-1-one, 2,4a,5,6,7,7a-hexahydro-4,7-dimethyl-2-(octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yl)-, [3R-[3α(4aS*,7S*,7aR*),4β,4aβ,7β,7aβ]]-
CAS Registry Number®
115421-74-4
CAS Name
1H-Cyclopenta[c]pyridin-1-one, 2,4a,5,6,7,7a-hexahydro-4,7-dimethyl-2-(octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yl)-, [3R-[3α(4aS*,7S*,7aR*),4β,4aβ,7β,7aβ]]-Molecular Formula
C20H29NO3Molecular Mass
331.45Cite this Page
1H-Cyclopenta[c]pyridin-1-one, 2,4a,5,6,7,7a-hexahydro-4,7-dimethyl-2-(octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yl)-, [3R-[3α(4aS*,7S*,7aR*),4β,4aβ,7β,7aβ]]-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=115421-74-4 (retrieved ) (CAS RN: 115421-74-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
116-117 °C
Source(s)
- (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
Other Names and Identifiers
InChI
InChI=1S/C20H29NO3/c1-10-5-7-14-12(3)9-21(18(22)16(10)14)19-13(4)15-8-6-11(2)17(15)20(23)24-19/h9-11,13-17,19H,5-8H2,1-4H3/t10-,11-,13+,14+,15+,16+,17+,19+/m0/s1
InChIKey
InChIKey=QTRZXLVUEGDULY-ZQRXIWEDSA-N
SMILES
C[C@H]1[C@@H](OC(=O)[C@]2([C@@]1(CC[C@@H]2C)[H])[H])N3C(=O)[C@]4([C@@](C(C)=C3)(CC[C@@H]4C)[H])[H]
Canonical SMILES
O=C1OC(N2C=C(C)C3CCC(C)C3C2=O)C(C)C4CCC(C)C14
Other Names for this Substance
- 1H-Cyclopenta[c]pyridin-1-one, 2,4a,5,6,7,7a-hexahydro-4,7-dimethyl-2-(octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yl)-, [3R-[3α(4aS*,7S*,7aR*),4β,4aβ,7β,7aβ]]-
- 1H-2-Pyrindin-1-one, 2,4a,5,6,7,7a-hexahydro-4,7-dimethyl-2-(octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yl)-, [3R-[3α(4aS*,7S*,7aR*),4β,4aβ,7β,7aβ]]-
- 2-[(3R,4R,4aR,7S,7aR)-Octahydro-4,7-dimethyl-1-oxocyclopenta[c]pyran-3-yl]-(4aS,7S,7aR)-nepetalactam