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(+)-7.beta.-Acetoxy-4-oxo-18-nor-2,13-clerodadien-16,15-olide

View entire compound with spectra: 1 MS (GC)

(+)-7.beta.-Acetoxy-4-oxo-18-nor-2,13-clerodadien-16,15-olide
SpectraBase Compound ID 4m5Zpsb84YY
InChI InChI=1S/C21H28O5/c1-13-16(26-14(2)22)12-21(4)17(6-5-7-18(21)23)20(13,3)10-8-15-9-11-25-19(15)24/h5,7,9,13,16-17H,6,8,10-12H2,1-4H3/t13-,16-,17-,20+,21-/m0/s1
InChIKey UEPDTANTCVLRIH-GZAKAODSSA-N
Mol Weight 360.45 g/mol
Molecular Formula C21H28O5
Exact Mass 360.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGAsbowfhb6
Name (+)-7.beta.-Acetoxy-4-oxo-18-nor-2,13-clerodadien-16,15-olide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O5
InChI InChI=1S/C21H28O5/c1-13-16(26-14(2)22)12-21(4)17(6-5-7-18(21)23)20(13,3)10-8-15-9-11-25-19(15)24/h5,7,9,13,16-17H,6,8,10-12H2,1-4H3/t13-,16-,17-,20+,21-/m0/s1
InChIKey UEPDTANTCVLRIH-GZAKAODSSA-N
Molecular Weight 360.450 g/mol
SMILES [C@]12([C@]([C@@](CCC=3C(OCC3)=O)(C)[C@]([C@](C1)(OC(=O)C)[H])(C)[H])(CC=CC2=O)[H])C
SPLASH splash10-007a-0973000000-630f780494ce0841cd9c
Source of Spectrum E1-42-1206-9
Synonyms Acetic acid [(2S,3R,4S,4aS,8aS)-3,4,8a-trimethyl-8-oxo-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-2,3,4a,5-tetrahydro-1H-naphthalen-2-yl] ester [(2S,3R,4S,4aS,8aS)-3,4,8a-trimethyl-8-oxo-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-2,3,4a,5-tetrahydro-1H-naphthalen-2-yl] acetate [(2S,3R,4S,4aS,8aS)-3,4,8a-trimethyl-8-oxidanylidene-4-[2-(5-oxidanylidene-2H-furan-4-yl)ethyl]-2,3,4a,5-tetrahydro-1H-naphthalen-2-yl] ethanoate
Wiley ID 1552678