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OCHROCARPINONE-A;17,18-DIHYDRO-18-HYDROPEROXYPLUKENETIONE-G
SpectraBase Compound ID EZJLyLLCgmA
InChI InChI=1S/C33H42O6/c1-20(2)14-15-23-19-32(17-16-21(3)4)28-24(18-25(39-37)31(7,8)38-28)27(35)33(29(32)36,30(23,5)6)26(34)22-12-10-9-11-13-22/h9-14,16,23,25,37H,15,17-19H2,1-8H3
InChIKey LCJOSIBQVUSWIH-UHFFFAOYSA-N
Mol Weight 534.7 g/mol
Molecular Formula C33H42O6
Exact Mass 534.298139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DX7fngDhg6L
Name Ochrocarpinone A
Appearance viscous liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H42O6
InChI InChI=1S/C33H42O6/c1-20(2)14-15-23-19-32(17-16-21(3)4)28-24(18-25(39-37)31(7,8)38-28)27(35)33(29(32)36,30(23,5)6)26(34)22-12-10-9-11-13-22/h9-14,16,23,25,37H,15,17-19H2,1-8H3
InChIKey LCJOSIBQVUSWIH-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/np020030a
Molecular Weight 534.693 g/mol
Optical Rotation [a]D = +8.7 (c = 0.15, CHCl3)
Reported Formula C33H43O6
SMILES OOC1C(OC=2C3(C(C(C(c4ccccc4)=O)(C(C2C1)=O)C(C(C3)CC=C(C)C)(C)C)=O)CC=C(C)C)(C)C
SPLASH splash10-05r0-9704200000-f8c654a09408c8b22ff2
Source of Spectrum G4-65-971-8
Wiley ID 1883778