Shionone

CAS Registry Number®

10376-48-4

CAS Name

Shionone

Molecular Formula

C30H50O

Molecular Mass

426.72

Cite this Page

Shionone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10376-48-4 (retrieved 2024-11-24) (CAS RN: 10376-48-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    158.5-159.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H50O/c1-21(2)10-9-14-26(4)16-19-30(8)25-13-15-28(6)22(3)23(31)11-12-24(28)29(25,7)18-17-27(30,5)20-26/h10,22,24-25H,9,11-20H2,1-8H3/t22-,24+,25-,26+,27-,28+,29-,30+/m0/s1

InChIKey

InChIKey=HXPXUNQUXCHJLL-LZQQOHPBSA-N

SMILES

C[C@@]12[C@@]3([C@](C)([C@]4([C@](C)(CC3)[C@@H](C)C(=O)CC4)[H])CC[C@@]1(C)C[C@@](CCC=C(C)C)(C)CC2)[H]

Canonical SMILES

O=C1CCC2C(C)(CCC3C2(C)CCC4(C)CC(C)(CCC=C(C)C)CCC34C)C1C

Other Names for this Substance

  • 2(1H)-Chrysenone, hexadecahydro-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methyl-3-penten-1-yl)-, (1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-
  • D-Homo-5α-androstan-17-one, 3α,5,8,17aβ-tetramethyl-3-(4-methyl-3-pentenyl)-
  • Shionone
  • D:A-Friedo-18,19-secolup-19-en-3-one
  • 2(1H)-Chrysenone, hexadecahydro-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methyl-3-pentenyl)-, (1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-

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Deleted or Replaced CAS Registry Numbers

1411-04-7, 6669-96-1

CAS INSIGHTSTM
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