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

*Links on SpectraBase are not permalinks.
Stigmast-5-en-3β-ol, acetate
SpectraBase Compound ID 99mxIkPRwiS
InChI InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
InChIKey IZEUIYYDWBKERE-ZRODXFKISA-N
Mol Weight 454.7 g/mol
Molecular Formula C31H50O2
Exact Mass 454.381081 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 1TlFa8C0jP9
Name Stigmasteryl acetate
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H50O2
GC Oven Program Oven temp 250oC
InChI InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1
InChIKey IZEUIYYDWBKERE-ZRODXFKISA-N
Instrument Name Hitachi M-80B
Ionization Type EI
Literature Reference DOI 10.1021/np0204141
Molecular Weight 454.739 g/mol
SMILES C1C[C@]2(C(C[C@]1(OC(C)=O)[H])=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(\C=C\[C@](C(C)C)(CC)[H])[H])[H])[H])C)[H])[H])C
SPLASH splash10-0a4i-9034000000-9024cde2454d9a6670a2
Source of Spectrum G4-66-336-3a
Wiley ID 1881268