CAS Registry Number®
4674-50-4
CAS Name
(+)-Nootkatone
Molecular Formula
C15H22O
Molecular Mass
218.33
Compound Properties
-
Melting Point (1)
31-34 °C
Source(s)
- (1) Silvestre, Samuel M.; Tetrahedron, (2007), 63(11), 2439-2445, CAplus
Other Names and Identifiers
InChI
InChI=1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1
InChIKey
InChIKey=WTOYNNBCKUYIKC-JMSVASOKSA-N
SMILES
C[C@@]12C(=CC(=O)C[C@H]1C)CC[C@@H](C(C)=C)C2
Canonical SMILES
O=C1C=C2CCC(C(=C)C)CC2(C)C(C)C1
Other Names for this Substance
- 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R,4aS,6R)-
- 4βH,5α-Eremophila-1(10),11-dien-2-one
- Nootkatone
- 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, [4R-(4α,4aα,6β)]-
- (4R,4aS,6R)-4,4a,5,6,7,8-Hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-2(3H)-naphthalenone
- (+)-Nootkatone
- Nootkanone
- (4R,4AS,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one