SpectraBase Spectrum ID |
JOJvHO9HW99 |
Name |
myo-Inositol tri-n-octaneboronate |
CAS Registry Number |
69814-45-5 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C30H57B3O6 |
InChI |
InChI=1S/C30H57B3O6/c1-4-7-10-13-16-19-22-31-34-25-26-27(36-31)29-30(39-33(38-29)24-21-18-15-12-9-6-3)28(25)37-32(35-26)23-20-17-14-11-8-5-2/h25-30H,4-24H2,1-3H3/t25-,26-,27+,28+,29-,30+/m0/s1 |
InChIKey |
PUMRAVPCXLLPDY-XBSCKGQLSA-N |
Molecular Weight |
546.210 g/mol |
SMILES |
[C@]12(OB(O[C@@]3([C@]([C@]4([C@@]2(OB(O4)CCCCCCCC)[H])[H])(OB(O[C@]13[H])CCCCCCCC)[H])[H])CCCCCCCC)[H] |
SPLASH |
splash10-001m-5932400000-aafdfac56e34451726b1 |
Source of Spectrum |
W5-1989-64403-1133 |
Wiley ID |
1405266 |