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((4S,6aR,9R,11aS,11bR)-6-acetoxy-4,11b-dimethyl-8-oxotetradecahydro-6a,9-methanocyclohepta[a]naphthalen-4-yl)methyl acetate

View entire compound with spectra: 1 MS (GC)

((4S,6aR,9R,11aS,11bR)-6-acetoxy-4,11b-dimethyl-8-oxotetradecahydro-6a,9-methanocyclohepta[a]naphthalen-4-yl)methyl acetate
SpectraBase Compound ID K4jj6PcfMfq
InChI InChI=1S/C23H34O5/c1-14(24)27-13-21(3)8-5-9-22(4)18-7-6-16-11-23(18,12-17(16)26)20(10-19(21)22)28-15(2)25/h16,18-20H,5-13H2,1-4H3/t16-,18+,19?,20?,21-,22+,23-/m1/s1
InChIKey NCSYZCFTTYSTDM-QEFKNMMKSA-N
Mol Weight 390.5 g/mol
Molecular Formula C23H34O5
Exact Mass 390.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2MoA4HsfLd
Name ((4S,6aR,9R,11aS,11bR)-6-acetoxy-4,11b-dimethyl-8-oxotetradecahydro-6a,9-methanocyclohepta[a]naphthalen-4-yl)methyl acetate
Alternate Name(s) Epiadejone diacetate ((4RS,6aSR,9R,11aSR,11bSR)-6-acetoxy-4,11b-dimethyl-8-oxotetradecahydro-6a,9-methanocyclohepta[a]naphthalen-4-yl)methyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O5
InChI InChI=1S/C23H34O5/c1-14(24)27-13-21(3)8-5-9-22(4)18-7-6-16-11-23(18,12-17(16)26)20(10-19(21)22)28-15(2)25/h16,18-20H,5-13H2,1-4H3/t16-,18+,19?,20?,21-,22+,23-/m1/s1
InChIKey NCSYZCFTTYSTDM-QEFKNMMKSA-N
Molecular Weight 390.520 g/mol
SMILES C1C[C@@](C2[C@@](C1)([C@]1([C@@]3(C(C2)OC(=O)C)C[C@@](CC1)(C(C3)=O)[H])[H])C)(COC(C)=O)C
SPLASH splash10-0a4i-0090000000-82b9f7133d2c927f86b3
Source of Spectrum Braulio M. Fraga, et al. Phytochemistry, V. 70, 2009, P.1038-1048
Wiley ID 1817541