For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5(3H)-Isobenzofuranone, 7-ethylidenehexahydro-1-hydroxy-6-(1,3,3-trimethylcyclohexyl)-, [1S-[1.alpha.,3a.alpha.,6.beta.(R*),7E,7a.alp ha.]]-
SpectraBase Compound ID GQoAqtEHs7w
InChI InChI=1S/C19H30O3/c1-5-13-15-12(10-22-17(15)21)9-14(20)16(13)19(4)8-6-7-18(2,3)11-19/h5,12,15-17,21H,6-11H2,1-4H3/b13-5-/t12-,15+,16+,17-,19?/m1/s1
InChIKey RPHDRFPSWHBWIN-OMDSSDSISA-N
Mol Weight 306.45 g/mol
Molecular Formula C19H30O3
Exact Mass 306.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8oh5aWlvIv6
Name 5(3H)-Isobenzofuranone, 7-ethylidenehexahydro-1-hydroxy-6-(1,3,3-trimethylcyclohexyl)-, [1S-[1.alpha.,3a.alpha.,6.beta.(R*),7E,7a.alp ha.]]-
CAS Registry Number 130221-22-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O3
InChI InChI=1S/C19H30O3/c1-5-13-15-12(10-22-17(15)21)9-14(20)16(13)19(4)8-6-7-18(2,3)11-19/h5,12,15-17,21H,6-11H2,1-4H3/b13-5-/t12-,15+,16+,17-,19?/m1/s1
InChIKey RPHDRFPSWHBWIN-OMDSSDSISA-N
Molecular Weight 306.446 g/mol
SMILES O[C@@]1(OC[C@@]2([C@]1(\C([C@@](C(=O)C2)(C1(CC(C)(C)CCC1)C)[H])=C\C)[H])[H])[H]
SPLASH splash10-07d0-7900000000-6052112897d0d7c87ad5
Source of Spectrum J-56-47-5
Synonyms (1R,3aS,6S,7Z,7aS)-7-ethylidene-1-hydroxy-6-[(1S)-1,3,3-trimethylcyclohexyl]hexahydro-2-benzofuran-5(3H)-one Aplysilla A
Wiley ID 1308424