CAS Registry Number®
10376-48-4
CAS Name
Shionone
Molecular Formula
C30H50O
Molecular Mass
426.72
Compound Properties
-
Melting Point (1)
158.5-159.5 °C
Source(s)
- (1) Takahashi, Mitsuo; Yakugaku Zasshi, (1959), 79, 1281-3, CAplus
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)-
- (1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-Hexadecahydro-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methyl-3-penten-1-yl)-2(1H)-chrysenone
- Shionon
- 2(1H)-Chrysenone, hexadecahydro-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methyl-3-pentenyl)-, [1R-(1α,4aβ,4bα,6aβ,8β,10aα,10bβ,12aα)]-
Deleted or Replaced CAS Registry Numbers
1411-04-7, 6669-96-1
