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MACROPHYLLIC-ACID-D
SpectraBase Compound ID BRJph9OAGR9
InChI InChI=1S/C15H22O3/c1-13-7-3-8-14(2)15(13,18-14)10-11(6-9-13)4-5-12(16)17/h4-5,11H,3,6-10H2,1-2H3,(H,16,17)/b5-4+/t11-,13-,14+,15-/m1/s1
InChIKey CZFYTAOSDOKUHD-OHSMQCEASA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CQiGp2trcX
Name (E)-3-[(1aS,4aR,7R,8aR)-1a,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphtho[1,8a-b]oxiren-7-yl]-2-propenoic acid
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Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-13-7-3-8-14(2)15(13,18-14)10-11(6-9-13)4-5-12(16)17/h4-5,11H,3,6-10H2,1-2H3,(H,16,17)/b5-4+/t11-,13-,14+,15-/m1/s1
InChIKey CZFYTAOSDOKUHD-OHSMQCEASA-N
Molecular Weight 250.338 g/mol
SMILES OC(\C=C\[C@]1(C[C@@]23O[C@]3(CCC[C@@]2(CC1)C)C)[H])=O
SPLASH splash10-0cdl-5920000000-d263752f9932d0910992
Source of Spectrum G4-64-470-4
Synonyms (E)-3-[(1aS,4aR,7R,8aR)-1a,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphtho[1,8a-b]oxiren-7-yl]acrylic acid (E)-3-[(1aS,4aR,7R,8aR)-1a,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphtho[1,8a-b]oxiren-7-yl]prop-2-enoic acid
Wiley ID 1608902