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(3S,4R,7S,8R,9S)-3-Benzyloxymethyl-8,10-isopropylidenedioxy-7,9-dimethyl-4-vinyldecan-4-ol
SpectraBase Compound ID 8ENktH7Y75P
InChI InChI=1S/C25H40O4/c1-7-22(18-27-17-21-12-10-9-11-13-21)25(26,8-2)15-14-19(3)23-20(4)16-28-24(5,6)29-23/h8-13,19-20,22-23,26H,2,7,14-18H2,1,3-6H3/t19-,20-,22-,23+,25-/m0/s1
InChIKey QXWMMKRXXSXZJP-AUNLMLFCSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rXumlxETKE
Name (3S,4R,7S,8R,9S)-3-Benzyloxymethyl-8,10-isopropylidenedioxy-7,9-dimethyl-4-vinyldecan-4-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-7-22(18-27-17-21-12-10-9-11-13-21)25(26,8-2)15-14-19(3)23-20(4)16-28-24(5,6)29-23/h8-13,19-20,22-23,26H,2,7,14-18H2,1,3-6H3/t19-,20-,22-,23+,25-/m0/s1
InChIKey QXWMMKRXXSXZJP-AUNLMLFCSA-N
Molecular Weight 404.591 g/mol
SMILES O[C@](CC[C@@]([C@]1(OC(OC[C@@]1(C)[H])(C)C)[H])(C)[H])(C=C)[C@](COCc1ccccc1)(CC)[H]
SPLASH splash10-0006-9200000000-96c981b0a49165931065
Source of Spectrum E1-37-1700-11
Synonyms (3R,6S)-3-{(1S)-1-[(benzyloxy)methyl]propyl}-6-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-hepten-3-ol
Wiley ID 1517805