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Secosterol derivative

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Secosterol derivative
SpectraBase Compound ID IqXToPsdjzA
InChI InChI=1S/C28H44O8/c1-17(15-29)22-7-8-23(27(22,4)11-12-34-16-33-6)21-14-25(36-19(3)31)24-13-20(35-18(2)30)9-10-28(24,5)26(21)32/h15,17,20-25H,7-14,16H2,1-6H3/t17-,20+,21+,22-,23+,24-,25+,27-,28+/m1/s1
InChIKey JTEGCIUCGKWAFI-GZUKEVKZSA-N
Mol Weight 508.7 g/mol
Molecular Formula C28H44O8
Exact Mass 508.303618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4X04E3uISZ
Name Secosterol derivative
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44O8
InChI InChI=1S/C28H44O8/c1-17(15-29)22-7-8-23(27(22,4)11-12-34-16-33-6)21-14-25(36-19(3)31)24-13-20(35-18(2)30)9-10-28(24,5)26(21)32/h15,17,20-25H,7-14,16H2,1-6H3/t17-,20+,21+,22-,23+,24-,25+,27-,28+/m1/s1
InChIKey JTEGCIUCGKWAFI-GZUKEVKZSA-N
Molecular Weight 508.652 g/mol
SMILES [C@]12(C([C@]([C@]3([C@@]([C@@]([C@@](C=O)(C)[H])(CC3)[H])(CCOCOC)C)[H])(C[C@@]([C@]1(C[C@@](OC(=O)C)(CC2)[H])[H])(OC(=O)C)[H])[H])=O)C
SPLASH splash10-03ds-0002900000-59f3b5e6207117fd6498
Source of Spectrum G-63-1011-13
Synonyms 2-[2'-(2''-Methoxymethoxyethyl]-2'-methyl-3'-(1''-formylethyl) cyclopentyl-4,6-bis(acetoxy)-8a-methyl-perhydronaphthalen-1-one 2-[2'-(2''-Methoxymethoxyethyl]-2'-methyl-3'-(1''-formylethyl) cyclopentyl-4,6-bis(acetoxy)-8a-methyl-perhydronaphthalen-1-one Acetic acid (2S,4aS,6S,8S,8aS)-8-acetoxy-6-[(4S,5R)-2-(2-methoxymethoxy-ethyl)-2-methyl-3-((R)-1-(S)-methyl-2-oxo-ethyl)-cyclopentyl]-4a-methyl-5-oxo-decahydro-naphthalen-2-yl ester Acetic acid [(2S,4aS,6S,8S,8aS)-8-acetyloxy-6-[(1S,2R,3R)-2-[2-(methoxymethoxy)ethyl]-2-methyl-3-[(2S)-1-oxopropan-2-yl]cyclopentyl]-4a-methyl-5-oxo-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl] ester [(2S,4aS,6S,8S,8aS)-8-acetyloxy-6-[(1S,2R,3R)-2-[2-(methoxymethoxy)ethyl]-2-methyl-3-[(2S)-1-oxopropan-2-yl]cyclopentyl]-4a-methyl-5-oxo-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl] acetate [(2S,4aS,6S,8S,8aS)-8-acetoxy-6-[(1S,2R,3R)-2-[2-(methoxymethoxy)ethyl]-2-methyl-3-[(1S)-1-methyl-2-oxo-ethyl]cyclopentyl]-4a-methyl-5-oxo-decalin-2-yl] acetate [(2S,4aS,6S,8S,8aS)-8-acetyloxy-6-[(1S,2R,3R)-2-[2-(methoxymethoxy)ethyl]-2-methyl-3-[(2S)-1-oxidanylidenepropan-2-yl]cyclopentyl]-4a-methyl-5-oxidanylidene-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl] ethanoate
Wiley ID 749350