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[3aR-(3aR*,4R*,5E,9E,11aR*)]-4-(acetyloxy)-3a,4,7,8,11,11a-hexahydro-10-(hydroxymethyl)-6-methyl-3-methylenecyclodeca[b]furan-2(3H)-one
SpectraBase Compound ID KWgtPs6wu1
InChI InChI=1S/C17H22O5/c1-10-5-4-6-13(9-18)8-15-16(11(2)17(20)22-15)14(7-10)21-12(3)19/h6-7,14-16,18H,2,4-5,8-9H2,1,3H3/b10-7+,13-6-/t14-,15-,16+/m1/s1
InChIKey XCLWINPDFJHWJT-SHEASJRKSA-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 9hTWn12W5P8
Name [3aR-(3aR*,4R*,5E,9E,11aR*)]-4-(acetyloxy)-3a,4,7,8,11,11a-hexahydro-10-(hydroxymethyl)-6-methyl-3-methylenecyclodeca[b]furan-2(3H)-one
CAS Registry Number 90605-35-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O5
InChI InChI=1S/C17H22O5/c1-10-5-4-6-13(9-18)8-15-16(11(2)17(20)22-15)14(7-10)21-12(3)19/h6-7,14-16,18H,2,4-5,8-9H2,1,3H3/b10-7+,13-6-/t14-,15-,16+/m1/s1
InChIKey XCLWINPDFJHWJT-SHEASJRKSA-N
Molecular Weight 306.358 g/mol
SMILES OC\C=1C[C@]2(OC(C([C@]2([C@@](\C=C\(CCC\1)C)(OC(=O)C)[H])[H])=C)=O)[H]
SPLASH splash10-0006-9410000000-b3a4cfcab5880274bc89
Source of Spectrum J-49-2996-0
Synonyms (3aR,4R,11aR)-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxo-2,3,3a,4,7,8,11,11a-octahydrocyclodeca[b]furan-4-yl acetate
Wiley ID 1308066