GRANDILOBATIN_B;(3-S*,4-S*,12-S*,1-E,7-E)-3,4-EPOXY-15-HYDROXYCEMBRA-1,7-DIEN-10-ONE - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	ENQ667lH7cB
InChI	InChI=1S/C20H32O3/c1-14-7-6-10-20(5)18(23-20)13-16(19(3,4)22)9-8-15(2)12-17(21)11-14/h7,13,15,18,22H,6,8-12H2,1-5H3/b14-7+,16-13+/t15-,18-,20-/m0/s1
InChIKey	IRGVGKNVASOSJW-FCECOGMUSA-N Google Search
Mol Weight	320.5 g/mol
Molecular Formula	C20H32O3
Exact Mass	320.235145 g/mol

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SpectraBase Spectrum ID	4a0KOxkTmPf
Name	Grandilobatin B
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H32O3
InChI	InChI=1S/C20H32O3/c1-14-7-6-10-20(5)18(23-20)13-16(19(3,4)22)9-8-15(2)12-17(21)11-14/h7,13,15,18,22H,6,8-12H2,1-5H3/b14-7+,16-13+/t15-,18-,20-/m0/s1
InChIKey	IRGVGKNVASOSJW-FCECOGMUSA-N
Molecular Weight	320.473 g/mol
SMILES	OC(\C1=C\[C@@]2(O[C@]2(CC\C=C\(CC(=O)C[C@](CC1)(C)[H])C)C)[H])(C)C
SPLASH	splash10-0592-3900000000-fed6008a8e0e3f49697f
Source of Spectrum	G4-71-950-2
Synonyms	(1S,2E,6S,10E,14S)-3-(2-hydroxypropan-2-yl)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-2,10-dien-8-one (1S,2E,6S,10E,14S)-6,10,14-trimethyl-3-(2-oxidanylpropan-2-yl)-15-oxabicyclo[12.1.0]pentadeca-2,10-dien-8-one
Wiley ID	1695000