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(1S,5S,6S,7S,10R)-1-Hydroxy-15-acetoxyeudesma-4(15),11(13)-dien-6,12-olide
SpectraBase Compound ID 9jqrpA1xUhq
InChI InChI=1S/C17H22O5/c1-9-12-6-7-17(3)13(19)5-4-11(8-21-10(2)18)14(17)15(12)22-16(9)20/h8,12-15,19H,1,4-7H2,2-3H3/b11-8+/t12-,13-,14+,15-,17-/m0/s1
InChIKey NZPKISDAGOXSAP-GLMUPHMASA-N
Mol Weight 306.36 g/mol
Molecular Formula C17H22O5
Exact Mass 306.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ale6sxrVLz4
Name (1S,5S,6S,7S,10R)-1-Hydroxy-15-acetoxyeudesma-4(15),11(13)-dien-6,12-olide
Appearance Gum
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Formula C17H22O5
InChI InChI=1S/C17H22O5/c1-9-12-6-7-17(3)13(19)5-4-11(8-21-10(2)18)14(17)15(12)22-16(9)20/h8,12-15,19H,1,4-7H2,2-3H3/b11-8+/t12-,13-,14+,15-,17-/m0/s1
InChIKey NZPKISDAGOXSAP-GLMUPHMASA-N
Instrument Name Varian Saturn 2000
Ionization Type EI
Literature Reference DOI 10.1021/np070154t
Molecular Weight 306.358 g/mol
Optical Rotation [a]D = +88 (589 nm), +90 (578 nm), +105 (546 nm), +173 (436 nm), +261 (365 nm) (c = 0.41, CHCl3)
Reported Formula C17H21O5
SMILES O[C@]1(CC\C([C@]2([C@]1(CC[C@@]1([C@@]2(OC(C1=C)=O)[H])[H])C)[H])=C/OC(C)=O)[H]
SPLASH splash10-01ot-0490000000-2b8c6919ab06c52656a1
Source of Spectrum G4-70-1178-6
Wiley ID 1874587