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(2S,4R,4aS,8S)-8-(3-methoxy-3-oxopropyl)-8-methyl-3,7-dioxooctahydro-2H-2,4a-ethanonaphthalen-4-yl benzoate
SpectraBase Compound ID 4GtFaqdoURq
InChI InChI=1S/C24H28O6/c1-23(11-10-19(26)29-2)17-14-16-8-12-24(17,13-9-18(23)25)21(20(16)27)30-22(28)15-6-4-3-5-7-15/h3-7,16-17,21H,8-14H2,1-2H3/t16-,17-,21-,23+,24-/m1/s1
InChIKey HFYFWYDKUWYBQW-LQOZDVDRSA-N
Mol Weight 412.48 g/mol
Molecular Formula C24H28O6
Exact Mass 412.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A9uz7RidMzu
Name (2S,4R,4aS,8S)-8-(3-methoxy-3-oxopropyl)-8-methyl-3,7-dioxooctahydro-2H-2,4a-ethanonaphthalen-4-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28O6
InChI InChI=1S/C24H28O6/c1-23(11-10-19(26)29-2)17-14-16-8-12-24(17,13-9-18(23)25)21(20(16)27)30-22(28)15-6-4-3-5-7-15/h3-7,16-17,21H,8-14H2,1-2H3/t16-,17-,21-,23+,24-/m1/s1
InChIKey HFYFWYDKUWYBQW-LQOZDVDRSA-N
Literature Reference DOI 10.1002/asia.201403069
Molecular Weight 412.482 g/mol
SMILES C1(CC[C@@]23[C@](OC(c4ccccc4)=O)(C(=O)[C@](CC3)(C[C@@]2([C@]1(C)CCC(OC)=O)[H])[H])[H])=O
SPLASH splash10-0a4i-1900000000-70a05ac593d548f12718
Source of Spectrum CAJ-10-436-22
Synonyms (2S,4R,4aS,8RS)-8-(3-methoxy-3-oxopropyl)-8-methyl-3,7-dioxooctahydro-2H-2,4a-ethanonaphthalen-4-yl benzoate
Wiley ID 1785193