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(1S*,3R*,4S*,6R*,7R*,8R*- 11Z)-6-Acetoxy-4,8-dihydroxy-11-capnosene-2,10-dione
SpectraBase Compound ID FmEnGrXKtO0
InChI InChI=1S/C22H34O6/c1-12(2)16-8-7-13(3)9-15(24)10-21(5,26)18-17(28-14(4)23)11-22(6,27)19(18)20(16)25/h9,12,16-19,26-27H,7-8,10-11H2,1-6H3/b13-9-/t16-,17+,18-,19-,21+,22-/m0/s1
InChIKey OXILBEOOAWRVQZ-HMHZDQBWSA-N
Mol Weight 394.5 g/mol
Molecular Formula C22H34O6
Exact Mass 394.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9aM7iLpQerl
Name (1S*,3R*,4S*,6R*,7R*,8R*- 11Z)-6-Acetoxy-4,8-dihydroxy-11-capnosene-2,10-dione
Alternate Name(s) (1R,3S,3aR,5S,12R,12aR)-3,12-dihydroxy-5-isopropyl-3,8,12-trimethyl-4,10-dioxo-1,2,3,3a,4,5,6,7,10,11,12,12a-dodecahydrocyclopenta[a]cycloundecen-1-yl acetate 4,8-Dihydroxy-6-acetoxy-11-capnosene-2,10-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O6
InChI InChI=1S/C22H34O6/c1-12(2)16-8-7-13(3)9-15(24)10-21(5,26)18-17(28-14(4)23)11-22(6,27)19(18)20(16)25/h9,12,16-19,26-27H,7-8,10-11H2,1-6H3/b13-9-/t16-,17+,18-,19-,21+,22-/m0/s1
InChIKey OXILBEOOAWRVQZ-HMHZDQBWSA-N
Molecular Weight 394.508 g/mol
SMILES O[C@@]1([C@]2([C@@]([C@@](CC(\C=C/(CC[C@](C2=O)(C(C)C)[H])C)=O)(O)C)([C@@](C1)(OC(=O)C)[H])[H])[H])C
SPLASH splash10-0006-9100000000-1b191aac5bb727d7bfbc
Source of Spectrum SB-46-371-2
Wiley ID 1366653