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GMGAHTBITASRRA-AYLSUALRSA-N
SpectraBase Compound ID CK9RoiofRNh
InChI InChI=1S/C20H26O7/c1-10-14(22)8-20-9-26-18(25)12(20)3-4-13(21)16(20)19(10,2)6-5-11-7-15(23)27-17(11)24/h3,7,10,13-16,21-23H,4-6,8-9H2,1-2H3/t10-,13+,14-,15?,16-,19+,20-/m1/s1
InChIKey GMGAHTBITASRRA-AYLSUALRSA-N
Mol Weight 378.42 g/mol
Molecular Formula C20H26O7
Exact Mass 378.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CctvjsHfuCj
Name Neoclerodane - (epimeric mixture)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O7
InChI InChI=1S/C20H26O7/c1-10-14(22)8-20-9-26-18(25)12(20)3-4-13(21)16(20)19(10,2)6-5-11-7-15(23)27-17(11)24/h3,7,10,13-16,21-23H,4-6,8-9H2,1-2H3/t10-,13+,14-,15?,16-,19+,20-/m1/s1
InChIKey GMGAHTBITASRRA-AYLSUALRSA-N
Molecular Weight 378.421 g/mol
SMILES OC1OC(C(CC[C@]2([C@@]([C@@](C[C@@]34[C@@]2([C@](CC=C4C(=O)OC3)(O)[H])[H])(O)[H])(C)[H])C)=C1)=O
SPLASH splash10-00l5-9200000000-8431114c795ed6556d97
Source of Spectrum G4-60-492-5
Synonyms 1.alpha.,7.alpha,15.-Trihydroxy-neocleroda-3,13-dien-16,15 : 18,19-diolide (6S,6aR,7S,8S,9R,10aS)-6,9-dihydroxy-7-[2-(2-hydroxy-5-oxo-2H-furan-4-yl)ethyl]-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one (6S,6aR,7S,8S,9R,10aS)-6,9-dihydroxy-7-[2-(2-hydroxy-5-oxo-2H-furan-4-yl)ethyl]-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d]isobenzofuran-3-one (6S,6aR,7S,8S,9R,10aS)-7,8-dimethyl-6,9-bis(oxidanyl)-7-[2-(2-oxidanyl-5-oxidanylidene-2H-furan-4-yl)ethyl]-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one
Wiley ID 1606688