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Casbene-diterpenoid
SpectraBase Compound ID 3qG7fwE48Nj
InChI InChI=1S/C20H30O3/c1-12-6-8-15-16(20(15,4)5)10-14(3)19(23)18(22)11-13(2)17(21)9-7-12/h7,10-11,15-18,21-22H,6,8-9H2,1-5H3/b12-7+,13-11+,14-10-/t15?,16?,17-,18+/m1/s1
InChIKey NGYQHXUVEHURAE-AVTXBLSPSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4THtyP1CirS
Name Casbene-diterpenoid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-12-6-8-15-16(20(15,4)5)10-14(3)19(23)18(22)11-13(2)17(21)9-7-12/h7,10-11,15-18,21-22H,6,8-9H2,1-5H3/b12-7+,13-11+,14-10-/t15?,16?,17-,18+/m1/s1
InChIKey NGYQHXUVEHURAE-AVTXBLSPSA-N
Molecular Weight 318.457 g/mol
SMILES O[C@]1(\C=C\([C@@](C\C=C\(CCC2C(C2\C=C/(C1=O)C)(C)C)C)(O)[H])C)[H]
SPLASH splash10-0ab9-1900000000-f6991270e5672e87c9d5
Source of Spectrum X2-53-1570-1
Synonyms 1,4-Dihydroxy-5-oxo-2,6,12,15,15-pentamethyl-bicyclo[12.1.o]pentadeca-2,6,12-triene
Wiley ID 1603817