4aα,7α,7aβ-Nepetalactone

CAS Registry Number®

17257-15-7
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CAS Name

4aα,7α,7aβ-Nepetalactone

Molecular Formula

C10H14O2

Molecular Mass

166.22

Cite this Page

4aα,7α,7aβ-Nepetalactone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17257-15-7 (retrieved 2024-05-21) (CAS RN: 17257-15-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    27.5-29.0 °C

Source(s)

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-ZQARSLAVSA-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-, (4aS,7S,7aS)-
  • Cyclopenta[c]pyran-1(4aαH)-one, 5,6,7,7aβ-tetrahydro-4,7α-dimethyl-
  • Cyclopenta[c]pyran-1(4aH)-one, 5,6,7,7a-tetrahydro-4,7-dimethyl-, [4aS-(4aα,7α,7aβ)]-
  • (4aS,7S,7aS)-5,6,7,7a-Tetrahydro-4,7-dimethylcyclopenta[c]pyran-1(4aH)-one
  • Epinepetalactone

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Deleted or Replaced CAS Registry Numbers

123357-10-8, 4581-79-7, 21651-56-9, 177695-28-2

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