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Pseudocalanolide C

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Pseudocalanolide C
SpectraBase Compound ID KYtW3c5AhPr
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-/m1/s1
InChIKey XCJYGBQSIDIDLV-FTLABTOESA-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 KOSPY7YcGRR
Name Pseudocalanolide 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-/m1/s1
InChIKey XCJYGBQSIDIDLV-FTLABTOESA-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-d41a57d0e2c24b83292e
Source of Spectrum G4-58-919-3
Wiley ID 1605945