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(1beta,7alpha)-1,7-Dihydroxy-ent-8,9-secokaura-8(14),16-diene-9,15-dione
SpectraBase Compound ID 7otbl1IYsfm
InChI InChI=1S/C20H28O4/c1-11-12-5-6-16(22)20(4)15(19(2,3)8-7-17(20)23)10-14(21)13(9-12)18(11)24/h9,12,14-15,17,21,23H,1,5-8,10H2,2-4H3/t12-,14-,15-,17-,20-/m1/s1
InChIKey MZEJPAGUQDRCOG-PYMGOFIGSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20WFzQlLvwQ
Name (1beta,7alpha)-1,7-Dihydroxy-ent-8,9-secokaura-8(14),16-diene-9,15-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-11-12-5-6-16(22)20(4)15(19(2,3)8-7-17(20)23)10-14(21)13(9-12)18(11)24/h9,12,14-15,17,21,23H,1,5-8,10H2,2-4H3/t12-,14-,15-,17-,20-/m1/s1
InChIKey MZEJPAGUQDRCOG-PYMGOFIGSA-N
Literature Reference DOI 10.1002/hlca.200790162
Molecular Weight 332.440 g/mol
SMILES O[C@]1(C2=C[C@@](CCC([C@]3([C@@](C(CC[C@]3(O)[H])(C)C)(C1)[H])C)=O)(C(C2=O)=C)[H])[H]
SPLASH splash10-0adl-3910000000-964d51ec4b81e7fd7570
Source of Spectrum H-90-1557-1
Synonyms Kongensin D (1R,4aR,6R,10R,13aS,Z)-1,6-dihydroxy-4,4,13a-trimethyl-9-methylene-1,2,3,4,4a,5,6,9,10,11,12,13a-dodecahydro-7,10-(metheno)benzo[11]annulene-8,13-dione
Wiley ID 1785715