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(1S,2S,3E,5R,6S,14S,15R,16R,17S,18S)-15,17-dihydroxy-5,6,16-trimethoxy-2,14,18-trimethyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one

View entire compound with spectra: 1 MS (GC)

(1S,2S,3E,5R,6S,14S,15R,16R,17S,18S)-15,17-dihydroxy-5,6,16-trimethoxy-2,14,18-trimethyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one
SpectraBase Compound ID 9OrZ9ciorWe
InChI InChI=1S/C23H40O8/c1-14-11-12-18(28-5)17(27-4)10-8-7-9-13-30-22(25)16(3)23(26)21(29-6)19(24)15(2)20(14)31-23/h11-12,14-21,24,26H,7-10,13H2,1-6H3/b12-11+/t14-,15-,16+,17-,18+,19-,20-,21+,23+/m0/s1
InChIKey VRPWTLRYDWHJKK-DDWFQGBHSA-N
Mol Weight 444.6 g/mol
Molecular Formula C23H40O8
Exact Mass 444.272318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KgxaQIBxw
Name (1S,2S,3E,5R,6S,14S,15R,16R,17S,18S)-15,17-dihydroxy-5,6,16-trimethoxy-2,14,18-trimethyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H40O8
InChI InChI=1S/C23H40O8/c1-14-11-12-18(28-5)17(27-4)10-8-7-9-13-30-22(25)16(3)23(26)21(29-6)19(24)15(2)20(14)31-23/h11-12,14-21,24,26H,7-10,13H2,1-6H3/b12-11+/t14-,15-,16+,17-,18+,19-,20-,21+,23+/m0/s1
InChIKey VRPWTLRYDWHJKK-DDWFQGBHSA-N
Molecular Weight 444.565 g/mol
SMILES O[C@@]1([C@]([C@@]2(O[C@]([C@]1(C)[H])([C@](\C=C\[C@]([C@@](OC)(CCCCCOC([C@]2(C)[H])=O)[H])(OC)[H])(C)[H])[H])O)(OC)[H])[H]
SPLASH splash10-004j-6900100000-78851a727213f0a72bf3
Source of Spectrum U-1995-813-2
Synonyms (1S,2S,3E,5R,6S,14S,15R,16R,17S,18S)-5,6,16-trimethoxy-2,14,18-trimethyl-15,17-bis(oxidanyl)-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one
Wiley ID 766740