4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene, gibb-3-ene-1,10-dicarboxylic acid deriv.

SpectraBase Compound ID	AypzvpW870Y
InChI	InChI=1S/C21H26O5/c1-10-7-20-9-12(10)5-6-13(20)21-8-11(2)16(22)19(3,18(24)26-21)15(21)14(20)17(23)25-4/h8,12-16,22H,1,5-7,9H2,2-4H3/t12?,13-,14-,15?,16+,19+,20?,21-/m1/s1
InChIKey	NDWPPRQXNGWBNR-RKBAVCLBSA-N Google Search
Mol Weight	358.43 g/mol
Molecular Formula	C21H26O5
Exact Mass	358.178024 g/mol

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SpectraBase Spectrum ID	E2BaZk9qtwE
Name	4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene, gibb-3-ene-1,10-dicarboxylic acid deriv.
Alternate Name(s)	Gibb-3-ene-1,10-dicarboxylic acid, 2,4a-dihydroxy-1,3-dimethyl-8-methylene-, 1,4a-lactone, 10-methyl ester, (1.alpha.,2.beta.,4a.alpha.,4b.beta.,10.beta.)- 2-Methyl-ga7 methyl ester Methyl (1R,2R,9S,11S,12S)-12-hydroxy-11,13-dimethyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadec-13-ene-9-carboxylate
CAS Registry Number	121709-13-5
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H26O5
InChI	InChI=1S/C21H26O5/c1-10-7-20-9-12(10)5-6-13(20)21-8-11(2)16(22)19(3,18(24)26-21)15(21)14(20)17(23)25-4/h8,12-16,22H,1,5-7,9H2,2-4H3/t12?,13-,14-,15?,16+,19+,20?,21-/m1/s1
InChIKey	NDWPPRQXNGWBNR-RKBAVCLBSA-N
Molecular Weight	358.434 g/mol
SMILES	O[C@@]1([C@@]2(C3[C@@]([C@@]4(CCC5CC4([C@]3(C(=O)OC)[H])CC5=C)[H])(OC2=O)C=C1C)C)[H]
SPLASH	splash10-000m-2190000000-b969de1c354f38406ee8
Source of Spectrum	KC-1988-1991-16
Wiley ID	1347190