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Ophiobola-3,6,19-trien-5-one, 14,18-epoxy-8,25-dihydroxy-, (8.beta.,18R)-
SpectraBase Compound ID BUFlZx3huNn
InChI InChI=1S/C25H36O4/c1-14(2)8-17-10-16(4)25(29-17)7-6-24(5)12-18-15(3)9-21(28)23(18)19(13-26)20(27)11-22(24)25/h8-9,16-18,20,22,26-27H,6-7,10-13H2,1-5H3/b23-19+/t16-,17?,18+,20?,22+,24+,25?/m0/s1
InChIKey LFYREHKMIHWZQF-QONBEWAQSA-N
Mol Weight 400.6 g/mol
Molecular Formula C25H36O4
Exact Mass 400.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AgGQYpodFe1
Name Ophiobola-3,6,19-trien-5-one, 14,18-epoxy-8,25-dihydroxy-, (8.beta.,18R)-
Alternate Name(s) Spiro[dicyclopenta[a,d]cyclooctene-3(7H),2'(3'H)-furan], ophiobola-3,6,19-trien-5-one deriv. (1'R,3S,3'R,7'R)-9'-hydroxy-10'-(hydroxymethyl)-3,3',14'-trimethyl-5-(2-methylprop-1-en-1-yl)spiro[oxolane-2,6'-tricyclo[9.3.0.0(3,7)]tetradecane]-10',13'-dien-12'-one Ophiobolin J
CAS Registry Number 114058-47-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O4
InChI InChI=1S/C25H36O4/c1-14(2)8-17-10-16(4)25(29-17)7-6-24(5)12-18-15(3)9-21(28)23(18)19(13-26)20(27)11-22(24)25/h8-9,16-18,20,22,26-27H,6-7,10-13H2,1-5H3/b23-19+/t16-,17?,18+,20?,22+,24+,25?/m0/s1
InChIKey LFYREHKMIHWZQF-QONBEWAQSA-N
Molecular Weight 400.559 g/mol
SMILES OC\C=1C(C[C@]2(C3(CC[C@@]2(C[C@]2(C/1C(C=C2C)=O)[H])C)OC(C=C(C)C)C[C@@]3(C)[H])[H])O
SPLASH splash10-0api-0922000000-2b06cf71f1aabe5491b7
Source of Spectrum J-53-2172-3
Wiley ID 1369589