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Dimethyl 3.beta.-Angeloyl-8-oco-eremophil-6(7)-ene-12,15-dioate
SpectraBase Compound ID GBkWLwRONT7
InChI InChI=1S/C22H30O7/c1-6-12(3)20(25)29-18-9-8-14-10-17(24)15(13(4)21(26)28-5)11-22(14,27)19(18)16(23)7-2/h6,11,13-14,18-19,27H,7-10H2,1-5H3/b12-6-/t13?,14-,18+,19+,22-/m1/s1
InChIKey VPWJUUTYOAZGCC-QSTGEWBHSA-N
Mol Weight 406.48 g/mol
Molecular Formula C22H30O7
Exact Mass 406.199153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6YwPLzVrMIO
Name Dimethyl 3.beta.-Angeloyl-8-oco-eremophil-6(7)-ene-12,15-dioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O7
InChI InChI=1S/C22H30O7/c1-6-12(3)20(25)29-18-9-8-14-10-17(24)15(13(4)21(26)28-5)11-22(14,27)19(18)16(23)7-2/h6,11,13-14,18-19,27H,7-10H2,1-5H3/b12-6-/t13?,14-,18+,19+,22-/m1/s1
InChIKey VPWJUUTYOAZGCC-QSTGEWBHSA-N
Molecular Weight 406.475 g/mol
SMILES O[C@]12[C@]([C@@](OC(\C(=C/C)C)=O)(CC[C@@]2(CC(=O)C(=C1)C(C(=O)OC)C)[H])[H])(C(=O)CC)[H]
SPLASH splash10-001i-9000000000-a906219ec54cf9b58844
Source of Spectrum G4-70-244-5
Wiley ID 1694879