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

*Links on SpectraBase are not permalinks.
[(4aS,8aS)-4-[2-(3-furyl)ethyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-ylidene]amino dodecanoate
SpectraBase Compound ID Hk3gb7wEFgd
InChI InChI=1S/C32H51NO3/c1-6-7-8-9-10-11-12-13-14-16-30(34)36-33-28-23-29-31(3,4)20-15-21-32(29,5)27(25(28)2)18-17-26-19-22-35-24-26/h19,22,24,29H,6-18,20-21,23H2,1-5H3/t29-,32+/m0/s1
InChIKey QEKBCWHEVAXWCO-BHDXBOSCSA-N
Mol Weight 497.8 g/mol
Molecular Formula C32H51NO3
Exact Mass 497.386895 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 HoxChffdfQ
Name [(4aS,8aS)-4-[2-(3-furyl)ethyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-ylidene]amino dodecanoate
Appearance Amorphous white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H51NO3
InChI InChI=1S/C32H51NO3/c1-6-7-8-9-10-11-12-13-14-16-30(34)36-33-28-23-29-31(3,4)20-15-21-32(29,5)27(25(28)2)18-17-26-19-22-35-24-26/h19,22,24,29H,6-18,20-21,23H2,1-5H3/t29-,32+/m0/s1
InChIKey QEKBCWHEVAXWCO-BHDXBOSCSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.0c00200
Molecular Weight 497.764 g/mol
Optical Rotation [a]D20 = -24 (c = 0.3, CHCl3)
Reported Formula C32H51NO3
SMILES C1C[C@]2([C@@](C(C1)(C)C)([H])CC(C(=C2CCc1cocc1)C)=NOC(=O)CCCCCCCCCCC)C
SPLASH splash10-00e9-2190000000-20574964625afa0aaee0
Source of Spectrum G4-83-2162-15
Wiley ID 1876888