(Z)-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoct-5-enoic acid, 5tms derivative

SpectraBase Compound ID	42hYJWzAaXw
InChI	InChI=1S/C29H64O8Si5/c1-17-18-19-20-23(21-25(30)34-39(5,6)7)32-29-28(37-42(14,15)16)27(36-41(11,12)13)26(35-40(8,9)10)24(33-29)22-31-38(2,3)4/h18-19,23-24,26-29H,17,20-22H2,1-16H3/b19-18-/t23?,24-,26-,27+,28-,29-/m1/s1
InChIKey	XXZOGQMRFHGXOY-BGMZADESSA-N Google Search
Mol Weight	681.2 g/mol
Molecular Formula	C29H64O8Si5
Exact Mass	680.344752 g/mol

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SpectraBase Spectrum ID	CWetNkM84Db
Name	(Z)-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoct-5-enoic acid, 5tms derivative
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	680.344751688 u
Formula	C29H64O8Si5
InChI	InChI=1S/C29H64O8Si5/c1-17-18-19-20-23(21-25(30)34-39(5,6)7)32-29-28(37-42(14,15)16)27(36-41(11,12)13)26(35-40(8,9)10)24(33-29)22-31-38(2,3)4/h18-19,23-24,26-29H,17,20-22H2,1-16H3/b19-18-/t23?,24-,26-,27+,28-,29-/m1/s1
InChIKey	XXZOGQMRFHGXOY-BGMZADESSA-N
SMILES	C(\C=C/CC(O[C@@]1(O[C@@]([C@]([C@@]([C@]1(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(CO[Si](C)(C)C)[H])[H])CC(O[Si](C)(C)C)=O)C