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[2H6]-Deoxotyphasterol MB TMSi dev
SpectraBase Compound ID F2DL8lxJ87s
InChI InChI=1S/C32H59BO3Si/c1-20(2)21(3)29-30(35-33(7)34-29)22(4)26-13-14-27-25-12-11-23-19-24(36-37(8,9)10)15-17-31(23,5)28(25)16-18-32(26,27)6/h20-30H,11-19H2,1-10H3/t21-,22-,23-,24+,25?,26?,27?,28?,29+,30+,31-,32+/m0/s1/i11D,12D,15D,17D,19D,23D/t11?,12?,15?,17?,19?,21-,22-,23-,24+,25?,26?,27?,28?,29+,30+,31-,32+
InChIKey PGLJOWFJLLBFMD-CFOOEPNRSA-N
Mol Weight 536.8 g/mol
Molecular Formula C32H532D6BO3Si
Exact Mass 536.470313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCPxZo41yMH
Name [2H6]-Deoxotyphasterol MB TMSi dev
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H53D6BO3Si
InChI InChI=1S/C32H59BO3Si/c1-20(2)21(3)29-30(35-33(7)34-29)22(4)26-13-14-27-25-12-11-23-19-24(36-37(8,9)10)15-17-31(23,5)28(25)16-18-32(26,27)6/h20-30H,11-19H2,1-10H3/t21-,22-,23-,24+,25?,26?,27?,28?,29+,30+,31-,32+/m0/s1/i11D,12D,15D,17D,19D,23D/t11?,12?,15?,17?,19?,21-,22-,23-,24+,25?,26?,27?,28?,29+,30+,31-,32+
InChIKey PGLJOWFJLLBFMD-CFOOEPNRSA-N
Molecular Weight 536.753 g/mol
SMILES [C@@]1([C@](OB(O1)C)([C@](C(C)C)(C)[H])[H])([C@](C1[C@@]2(C(C3C(C([2D])[C@@]4([C@@](C3CC2)(C(C([C@@](O[Si](C)(C)C)(C4[2D])[H])[2D])[2D])C)[2D])[2D])CC1)C)(C)[H])[H]
SPLASH splash10-014i-0291820000-d0181b2df4c232fa550f
Source of Spectrum QC-24-1542-6
Wiley ID 1584205