(+)-Nootkatone

CAS Registry Number®

4674-50-4

CAS Name

(+)-Nootkatone

Molecular Formula

C15H22O

Molecular Mass

218.33

Cite this Page

(+)-Nootkatone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4674-50-4 (retrieved 2024-11-21) (CAS RN: 4674-50-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    31-34 °C

Source(s)

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

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration