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(+-)-Calanolide C
SpectraBase Compound ID BGfEu0KVYwL
InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-19-14-8-9-22(4,5)27-20(14)17-18(24)11(2)12(3)25-21(17)16(13)19/h8-12,18,24H,6-7H2,1-5H3/t11-,12+,18-/m0/s1
InChIKey XCJYGBQSIDIDLV-IUUKEHGRSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GuxymgdsJ4a
Name (+-)-Calanolide C
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-19-14-8-9-22(4,5)27-20(14)17-18(24)11(2)12(3)25-21(17)16(13)19/h8-12,18,24H,6-7H2,1-5H3/t11-,12+,18-/m0/s1
InChIKey XCJYGBQSIDIDLV-IUUKEHGRSA-N
Molecular Weight 370.445 g/mol
SMILES O[C@@]1(c2c(c3C(=CC(Oc3c3c2OC(C=C3)(C)C)=O)CCC)O[C@@]([C@@]1(C)[H])(C)[H])[H]
SPLASH splash10-0a4i-0019000000-6ff49fd6d07f61701250
Source of Spectrum KC-0-3149-84
Synonyms (6R,7R,8S)-8-hydroxy-6,7,10,10-tetramethyl-4-propyl-7,8-dihydro-2H,6H,10H-dipyrano[2,3-f:2,3-h]chromen-2-one
Wiley ID 784656