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(6S,6aR,8R,9R,11S)-8-methoxy-5,6a,7,8,9,11-hexahydro-6,11-methano[1,3]dioxolo[4',5':4,5]benzo[1,2-e]benzo[b]azepin-9-yl formate
SpectraBase Compound ID KTWHTrEocza
InChI InChI=1S/C18H19NO5/c1-21-15-5-14-12(4-17(15)22-8-20)13-7-19(14)6-10-2-16-18(3-11(10)13)24-9-23-16/h2-4,8,13-15,17H,5-7,9H2,1H3/t13-,14+,15+,17+/m0/s1
InChIKey QCINKDLMMGVXGY-KLZNWCGWSA-N
Mol Weight 329.35 g/mol
Molecular Formula C18H19NO5
Exact Mass 329.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRLEcZhNgYk
Name (6S,6aR,8R,9R,11S)-8-methoxy-5,6a,7,8,9,11-hexahydro-6,11-methano[1,3]dioxolo[4',5':4,5]benzo[1,2-e]benzo[b]azepin-9-yl formate
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Formula C18H19NO5
InChI InChI=1S/C18H19NO5/c1-21-15-5-14-12(4-17(15)22-8-20)13-7-19(14)6-10-2-16-18(3-11(10)13)24-9-23-16/h2-4,8,13-15,17H,5-7,9H2,1H3/t13-,14+,15+,17+/m0/s1
InChIKey QCINKDLMMGVXGY-KLZNWCGWSA-N
Literature Reference DOI 10.1021/ol801815k
Molecular Weight 329.352 g/mol
SMILES C1[C@]2([H])C(=C[C@]([C@@]1(OC)[H])(OC=O)[H])[C@@]1(c3c(CN2C1)cc1c(c3)OCO1)[H]
SPLASH splash10-0fhl-2092000000-1bb27dd4321d2d77029a
Source of Spectrum A1-10-4693/SMS18-22
Wiley ID 1759931