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[(1R,2R,4S,5S,9R,10S,13R,14R)-2,14-bis(acetyloxy)-5-[(acetyloxy)methyl]-5,9-dimethyltetracyclo[11.2.1.0(1,10).0(4,9)]hexadecan-14-yl]methyl acetate

View entire compound with spectra: 1 MS (GC)

[(1R,2R,4S,5S,9R,10S,13R,14R)-2,14-bis(acetyloxy)-5-[(acetyloxy)methyl]-5,9-dimethyltetracyclo[11.2.1.0(1,10).0(4,9)]hexadecan-14-yl]methyl acetate
SpectraBase Compound ID 21gZmEAh5e6
InChI InChI=1S/C28H42O8/c1-17(29)33-15-25(5)10-7-11-26(6)22-9-8-21-13-27(22,24(12-23(25)26)35-19(3)31)14-28(21,36-20(4)32)16-34-18(2)30/h21-24H,7-16H2,1-6H3/t21-,22+,23-,24-,25-,26+,27-,28+/m1/s1
InChIKey HENFFGUMXUVDQV-DCZUHWOXSA-N
Mol Weight 506.6 g/mol
Molecular Formula C28H42O8
Exact Mass 506.287968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MxlKX6yOqk
Name [(1R,2R,4S,5S,9R,10S,13R,14R)-2,14-bis(acetyloxy)-5-[(acetyloxy)methyl]-5,9-dimethyltetracyclo[11.2.1.0(1,10).0(4,9)]hexadecan-14-yl]methyl acetate
Appearance Colorless needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42O8
InChI InChI=1S/C28H42O8/c1-17(29)33-15-25(5)10-7-11-26(6)22-9-8-21-13-27(22,24(12-23(25)26)35-19(3)31)14-28(21,36-20(4)32)16-34-18(2)30/h21-24H,7-16H2,1-6H3/t21-,22+,23-,24-,25-,26+,27-,28+/m1/s1
InChIKey HENFFGUMXUVDQV-DCZUHWOXSA-N
Instrument Name Micromass Autospec
Ionization Type EI
Literature Reference DOI 10.1021/np020420x
Molecular Weight 506.636 g/mol
Reported Formula C28H42O8
SMILES C1C[C@@]2([C@@]([C@](C1)(COC(C)=O)C)(C[C@]([C@@]13[C@]2(CC[C@](C3)([C@@](C1)(OC(=O)C)COC(C)=O)[H])[H])(OC(C)=O)[H])[H])C
SPLASH splash10-0fvu-0159000000-c29dfcf8b221b415179c
Source of Spectrum G4-66-330-14
Wiley ID 1881273