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(+-)-trans-3,4,6,9-tetrahydro-7,10-dihydroxy-1,3,8-trimethyl-1H-naphtho[2,3-c]pyran-6,9-dione[(+-)-isoventilagone]
SpectraBase Compound ID H8VO4enGpWM
InChI InChI=1S/C16H16O5/c1-6-4-9-5-10-12(16(20)11(9)8(3)21-6)13(17)7(2)14(18)15(10)19/h5-6,8,18,20H,4H2,1-3H3/t6-,8-/m0/s1
InChIKey AKSIDWRVAJAXLV-XPUUQOCRSA-N
Mol Weight 288.3 g/mol
Molecular Formula C16H16O5
Exact Mass 288.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9rz3uH1c8Bw
Name (+-)-trans-3,4,6,9-tetrahydro-7,10-dihydroxy-1,3,8-trimethyl-1H-naphtho[2,3-c]pyran-6,9-dione[(+-)-isoventilagone]
CAS Registry Number 124917-67-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O5
InChI InChI=1S/C16H16O5/c1-6-4-9-5-10-12(16(20)11(9)8(3)21-6)13(17)7(2)14(18)15(10)19/h5-6,8,18,20H,4H2,1-3H3/t6-,8-/m0/s1
InChIKey AKSIDWRVAJAXLV-XPUUQOCRSA-N
Molecular Weight 288.299 g/mol
SMILES Oc1c2c(C(C(=C(C2=O)C)O)=O)cc2c1[C@@](O[C@](C2)(C)[H])(C)[H]
SPLASH splash10-00di-0090000000-4151b9c801c6dc8562a0
Source of Spectrum J-55-1470-1
Synonyms (1S,3S)-7,10-dihydroxy-1,3,8-trimethyl-3,4-dihydro-1H-naphtho[2,3-c]pyran-6,9-dione
Wiley ID 1291675