Shionone
Properties
- Molecular formula
- C30H50O
- Molar mass
- 426.73 g/mol
- Exact mass
- 426.3862 Da
- Melting point
- 158.5–159.5 °C
- logP
- 8.77Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 3
- Stereocentres
- R, R, S, S, S, R, S, Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
10376-48-4SMILES
CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC(=O)[C@@H]4C)[C@]3(C)CC[C@@]2(C)C1InChIKey
HXPXUNQUXCHJLL-LZQQOHPBSA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 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)-
- 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)]-