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seco-chiliolide acid

View entire compound with spectra: 1 MS (GC)

seco-chiliolide acid
SpectraBase Compound ID 19XAUpjNznS
InChI InChI=1S/C20H26O5/c1-12(2)15-5-4-13(3)20(16(15)6-7-18(21)22)10-17(25-19(20)23)14-8-9-24-11-14/h8-9,11,13,16-17H,4-7,10H2,1-3H3,(H,21,22)/t13-,16+,17+,20-/m1/s1
InChIKey HXQMNSQWUMHREA-LKCJXIOFSA-N
Mol Weight 346.42 g/mol
Molecular Formula C20H26O5
Exact Mass 346.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSN8hxdCCHF
Name seco-chiliolide acid
Alternate Name(s) 3-[(3S,5R,6S,10R)-3-(3-furyl)-10-methyl-7-(1-methylethylidene)-1-oxo-2-oxaspiro[4.5]dec-6-yl]propanoic acid 3-[(3S,5R,6S,10R)-3-(3-furanyl)-10-methyl-1-oxo-7-propan-2-ylidene-2-oxaspiro[4.5]decan-6-yl]propanoic acid 3-[(3S,5R,6S,10R)-3-(furan-3-yl)-10-methyl-1-oxo-7-propan-2-ylidene-2-oxaspiro[4.5]decan-6-yl]propanoic acid 3-[(3S,5R,6S,10R)-3-(3-furyl)-7-isopropylidene-10-methyl-1-oxo-2-oxaspiro[4.5]decan-6-yl]propanoic acid 3-[(3S,5R,6S,10R)-3-(furan-3-yl)-10-methyl-1-oxidanylidene-7-propan-2-ylidene-2-oxaspiro[4.5]decan-6-yl]propanoic acid
CAS Registry Number 102904-56-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O5
InChI InChI=1S/C20H26O5/c1-12(2)15-5-4-13(3)20(16(15)6-7-18(21)22)10-17(25-19(20)23)14-8-9-24-11-14/h8-9,11,13,16-17H,4-7,10H2,1-3H3,(H,21,22)/t13-,16+,17+,20-/m1/s1
InChIKey HXQMNSQWUMHREA-LKCJXIOFSA-N
Molecular Weight 346.423 g/mol
SMILES OC(CC[C@@]1([C@]2(C(O[C@@](C2)(c2cocc2)[H])=O)[C@@](CCC1=C(C)C)(C)[H])[H])=O
SPLASH splash10-000t-9026000000-e8ffe94e8a38284a0955
Source of Spectrum F-42-1309-3
Wiley ID 1339376