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[(1R,2S,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,2S,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 4A7ZTjmcgqF
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-UQBUQDSXSA-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 LEZxItfEEx8
Name [(1R,2S,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
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-UQBUQDSXSA-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)(COC(C)=O)OC(=O)C)[H])[H])(OC(=O)C)[H])[H])C
SPLASH splash10-0fbc-0169000000-1c121fd3674aa9329bd3
Source of Spectrum G4-66-330-9
Wiley ID 1881280