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Isochandonanthone
SpectraBase Compound ID DHGbSOBwOqO
InChI InChI=1S/C20H30O4/c1-12(2)15-6-7-18(4)8-9-20(24-18)13(3)10-14(22-20)11-19(5)17(23-19)16(15)21/h13-14,17H,6-11H2,1-5H3/t13-,14+,17+,18+,19+,20-/m0/s1
InChIKey AWKFFPXZWYNPMR-YRBSRBFQSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwuEFiAi8pV
Name Isochandonanthone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-12(2)15-6-7-18(4)8-9-20(24-18)13(3)10-14(22-20)11-19(5)17(23-19)16(15)21/h13-14,17H,6-11H2,1-5H3/t13-,14+,17+,18+,19+,20-/m0/s1
InChIKey AWKFFPXZWYNPMR-YRBSRBFQSA-N
Literature Reference DOI 10.1002/jccs.200200091
Molecular Weight 334.456 g/mol
SMILES C1[C@@]([C@@]23O[C@]1(C[C@@]1([C@@](C(C(CC[C@](CC3)(O2)C)=C(C)C)=O)(O1)[H])C)[H])(C)[H]
SPLASH splash10-0006-9000000000-4427f4b764b0f00b0247
Source of Spectrum QA-49-597-17
Synonyms (1S,2S,4R,6R,8S,13R)-2,6,13-trimethyl-10-(propan-2-ylidene)-7,16,17-trioxatetracyclo[11.2.1.1(1,4).0(6,8)]heptadecan-9-one
Wiley ID 1795657