11-Oxabicyclo[8.1.0]undecane, 2-butenoic acid deriv.

SpectraBase Compound ID	3UhX8QKSwKU
InChI	InChI=1S/C20H32O4/c1-7-14(5)19(22)23-15-11-13(4)9-8-10-20(6)18(24-20)17(21)16(15)12(2)3/h7,9,12,15-18,21H,8,10-11H2,1-6H3/b13-9-,14-7-/t15-,16+,17+,18-,20-/m0/s1
InChIKey	ULRHOYLBAZFSHH-DSZUDAEXSA-N Google Search
Mol Weight	336.5 g/mol
Molecular Formula	C20H32O4
Exact Mass	336.23006 g/mol

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SpectraBase Spectrum ID	QSwiI7X7CJ
Name	11-Oxabicyclo[8.1.0]undecane, 2-butenoic acid deriv.
CAS Registry Number	98941-63-0
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H32O4
InChI	InChI=1S/C20H32O4/c1-7-14(5)19(22)23-15-11-13(4)9-8-10-20(6)18(24-20)17(21)16(15)12(2)3/h7,9,12,15-18,21H,8,10-11H2,1-6H3/b13-9-,14-7-/t15-,16+,17+,18-,20-/m0/s1
InChIKey	ULRHOYLBAZFSHH-DSZUDAEXSA-N
Molecular Weight	336.472 g/mol
SMILES	O[C@]1([C@@]2(O[C@]2(CC\C=C/(C[C@@]([C@]1(C(C)C)[H])(OC(\C(=C/C)C)=O)[H])C)C)[H])[H]
SPLASH	splash10-001i-9000000000-a96b62885622d941e206
Source of Spectrum	KC-1986-1370-5
Synonyms	2-Butenoic acid, 2-methyl-, 2-hydroxy-6,10-dimethyl-3-(1-methylethyl)-11-oxabicyclo[8.1.0]undec-6-en-4-yl ester, [1S-[1R,2S,3R,4R(Z),6E,10R*]]- (1S,2R,3S,4S,10S)-2-hydroxy-3-isopropyl-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-4-yl (2Z)-2-methyl-2-butenoate Shiromodiol 8-O-angelate
Wiley ID	1332567