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Stearoylplorantinone B
SpectraBase Compound ID B2HUHBfN9Su
InChI InChI=1S/C33H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(34)37-25-31(3)23-28-30(35)26(2)27-21-22-32(27,4)33(28,36)24-31/h28,36H,5-25H2,1-4H3/t28?,31-,32+,33-/m1/s1
InChIKey WMRMYGFKUFSPED-RLPXQAOUSA-N
Mol Weight 516.8 g/mol
Molecular Formula C33H56O4
Exact Mass 516.41786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8QQoyDbuuG3
Name Stearoylplorantinone B
Alternate Name(s) [(6R,7aR,7bS)-7a-hydroxy-3,6,7b-trimethyl-4-oxo-2,4,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]inden-6-yl]methyl stearate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H56O4
InChI InChI=1S/C33H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(34)37-25-31(3)23-28-30(35)26(2)27-21-22-32(27,4)33(28,36)24-31/h28,36H,5-25H2,1-4H3/t28?,31-,32+,33-/m1/s1
InChIKey WMRMYGFKUFSPED-RLPXQAOUSA-N
Molecular Weight 516.807 g/mol
SMILES O[C@]12[C@@]3(C(=C(C(C2C[C@](C1)(COC(=O)CCCCCCCCCCCCCCCCC)C)=O)C)CC3)C
SPLASH splash10-00di-1950230000-a2ec770507b89280fd7b
Source of Spectrum F-53-9739-2
Wiley ID 803078