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

*Links on SpectraBase are not permalinks.
(3S,6R,7S,8S)-1,3,7-Trihydroxy-4,4,6,8-tetramethyl-12-tridecen-5-one
SpectraBase Compound ID GdMJ1GEFgd7
InChI InChI=1S/C17H32O4/c1-6-7-8-9-12(2)15(20)13(3)16(21)17(4,5)14(19)10-11-18/h6,12-15,18-20H,1,7-11H2,2-5H3/t12-,13+,14-,15-/m0/s1
InChIKey GYXWFCNLWGDNGX-XGUBFFRZSA-N
Mol Weight 300.4 g/mol
Molecular Formula C17H32O4
Exact Mass 300.23006 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 JkLYicwZ7F4
Name (3S,6R,7S,8S)-1,3,7-Trihydroxy-4,4,6,8-tetramethyl-12-tridecen-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H32O4
InChI InChI=1S/C17H32O4/c1-6-7-8-9-12(2)15(20)13(3)16(21)17(4,5)14(19)10-11-18/h6,12-15,18-20H,1,7-11H2,2-5H3/t12-,13+,14-,15-/m0/s1
InChIKey GYXWFCNLWGDNGX-XGUBFFRZSA-N
Molecular Weight 300.439 g/mol
SMILES OCC[C@@](C(C([C@@]([C@]([C@](CCCC=C)(C)[H])(O)[H])(C)[H])=O)(C)C)(O)[H]
SPLASH splash10-0zgi-8900000000-34c2ea388016462553e8
Source of Spectrum QE-5-2489-26
Synonyms (3S,6R,7S,8S)-1,3,7-trihydroxy-4,4,6,8-tetramethyltridec-12-en-5-one (3S,6R,7S,8S)-4,4,6,8-tetramethyl-1,3,7-tris(oxidanyl)tridec-12-en-5-one
Wiley ID 844285