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Cyclodeca[b]furan-2,9(3H,4H)-dione, 4-(acetyloxy)-3a,5,8,11a-tetrahydro-3,6,10-trimethyl-, [3S-(3R*,3aS*,4R*,6E,10Z,11aS*)]-

View entire compound with spectra: 1 MS (GC)

Cyclodeca[b]furan-2,9(3H,4H)-dione, 4-(acetyloxy)-3a,5,8,11a-tetrahydro-3,6,10-trimethyl-, [3S-(3R*,3aS*,4R*,6E,10Z,11aS*)]-
SpectraBase Compound ID KKybZ39bHwk
InChI InChI=1S/C17H22O5/c1-9-5-6-13(19)10(2)8-15-16(11(3)17(20)22-15)14(7-9)21-12(4)18/h5,8,11,14-16H,6-7H2,1-4H3/b9-5+,10-8-/t11-,14+,15-,16-/m0/s1
InChIKey ZVKWUOHTNNPKJA-QKZNSUJOSA-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 IFjoCBIBwmS
Name Cyclodeca[b]furan-2,9(3H,4H)-dione, 4-(acetyloxy)-3a,5,8,11a-tetrahydro-3,6,10-trimethyl-, [3S-(3R*,3aS*,4R*,6E,10Z,11aS*)]-
CAS Registry Number 99102-52-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O5
InChI InChI=1S/C17H22O5/c1-9-5-6-13(19)10(2)8-15-16(11(3)17(20)22-15)14(7-9)21-12(4)18/h5,8,11,14-16H,6-7H2,1-4H3/b9-5+,10-8-/t11-,14+,15-,16-/m0/s1
InChIKey ZVKWUOHTNNPKJA-QKZNSUJOSA-N
Molecular Weight 306.358 g/mol
SMILES C1(O[C@]2(\C=C/(C(C\C=C\(C[C@]([C@@]2([C@@]1(C)[H])[H])(OC(=O)C)[H])C)=O)C)[H])=O
SPLASH splash10-014i-0910000000-bc46bdc442fc2118ae11
Source of Spectrum F-41-3145-0
Synonyms (+)-Heliangolidin (3S,3aS,4R,11aS)-3,6,10-trimethyl-2,9-dioxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl acetate Heliangolidin
Wiley ID 1308065