DENDRYPHIELLIN-B;(+)-(1R*,2S*,7R*,8AS*)-1,2,6,7,8,8A-HEXAHYDRO-7-HYDROXY-1,8A-METHYL-6-OXONAPHTHALEN-2-YL-(6R*,2E,4E)-6-HYDROXY-6-METHYL-OCTA-2,4-DIENOATE;COMP - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	6WgGns1KU4c
InChI	InChI=1S/C21H28O5/c1-5-20(3,25)11-7-6-8-19(24)26-18-10-9-15-12-16(22)17(23)13-21(15,4)14(18)2/h6-12,14,17-18,23,25H,5,13H2,1-4H3/b8-6+,11-7+/t14-,17+,18-,20?,21+/m0/s1
InChIKey	XTOGUVJTYSNIJK-RSFONDJCSA-N Google Search
Mol Weight	360.45 g/mol
Molecular Formula	C21H28O5
Exact Mass	360.193674 g/mol

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SpectraBase Spectrum ID	4LSLPtNiCJs
Name	(+)-(1R,2S,7R,8aR)-1,2,6,7,8,8a-hexahydro-7-hydroxy-1,8a-dimethyl-6-oxonaphthalen-2-yl (6R*-2E,4E)-6-hydroxy-6-methylocta-2,4-dienoate
CAS Registry Number	121678-86-2
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H28O5
InChI	InChI=1S/C21H28O5/c1-5-20(3,25)11-7-6-8-19(24)26-18-10-9-15-12-16(22)17(23)13-21(15,4)14(18)2/h6-12,14,17-18,23,25H,5,13H2,1-4H3/b8-6+,11-7+/t14-,17+,18-,20?,21+/m0/s1
InChIKey	XTOGUVJTYSNIJK-RSFONDJCSA-N
Molecular Weight	360.450 g/mol
SMILES	O[C@]1(C(C=C2[C@@]([C@]([C@@](OC(\C=C\C=C\C(O)(CC)C)=O)(C=C2)[H])(C)[H])(C1)C)=O)[H]
SPLASH	splash10-002b-0900000000-73b0202b59e63b61e206
Source of Spectrum	H-72-442-0
Synonyms	(1R,2S,7R,8aR)-7-hydroxy-1,8a-dimethyl-6-oxo-1,2,6,7,8,8a-hexahydro-2-naphthalenyl (2E,4E)-6-hydroxy-6-methyl-2,4-octadienoate (2E,4E)-6-hydroxy-6-methylocta-2,4-dienoic acid [(1R,2S,7R,8aR)-7-hydroxy-1,8a-dimethyl-6-oxo-1,2,7,8-tetrahydronaphthalen-2-yl] ester [(1R,2S,7R,8aR)-7-hydroxy-1,8a-dimethyl-6-oxo-1,2,7,8-tetrahydronaphthalen-2-yl] (2E,4E)-6-hydroxy-6-methylocta-2,4-dienoate [(1R,2S,7R,8aR)-7-hydroxy-1,8a-dimethyl-6-oxo-1,2,7,8-tetrahydronaphthalen-2-yl] (2E,4E)-6-hydroxy-6-methyl-octa-2,4-dienoate [(1R,2S,7R,8aR)-1,8a-dimethyl-7-oxidanyl-6-oxidanylidene-1,2,7,8-tetrahydronaphthalen-2-yl] (2E,4E)-6-methyl-6-oxidanyl-octa-2,4-dienoate
Wiley ID	1348448