4aβ,7α,7aβ-Nepetalactone

CAS Registry Number®

21651-53-6
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CAS Name

4aβ,7α,7aβ-Nepetalactone

Molecular Formula

C10H14O2

Molecular Mass

166.22

Cite this Page

4aβ,7α,7aβ-Nepetalactone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=21651-53-6 (retrieved 2024-04-18) (CAS RN: 21651-53-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3/t6-,8-,9-/m0/s1

InChIKey

InChIKey=ZDKZHVNKFOXMND-XVYDVKMFSA-N

SMILES

CC=1[C@]2([C@]([C@@H](C)CC2)(C(=O)OC1)[H])[H]

Canonical SMILES

O=C1OC=C(C)C2CCC(C)C12

Other Names for this Substance

  • Cyclopenta[c]pyran-1(4aH)-one, 5,6,7,7a-tetrahydro-4,7-dimethyl-, (4aR,7S,7aS)-
  • Cyclopenta[c]pyran-1(4aβH)-one, 5,6,7,7aβ-tetrahydro-4,7α-dimethyl-, (+)-
  • Cyclopenta[c]pyran-1(4aH)-one, 5,6,7,7a-tetrahydro-4,7-dimethyl-, [4aR-(4aα,7β,7aα)]-
  • (4aR,7S,7aS)-5,6,7,7a-Tetrahydro-4,7-dimethylcyclopenta[c]pyran-1(4aH)-one
  • Nepetalactone, cis,cis-

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Deleted or Replaced CAS Registry Numbers

123357-11-9

CAS INSIGHTSTM
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