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Antidesmanin B
SpectraBase Compound ID JTz5UacxiBL
InChI InChI=1S/C29H32O7/c1-9-28(3,4)18-13-17-15-21(33-8)24-25(22(17)36-27(18)31)35-26(29(5,6)10-2)23(34-24)16-11-12-19(30)20(14-16)32-7/h9-15,23,26,30H,1-2H2,3-8H3
InChIKey IVPNQUAZPQHETD-UHFFFAOYSA-N
Mol Weight 492.6 g/mol
Molecular Formula C29H32O7
Exact Mass 492.214803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1W1tC1vlDM
Name Antidesmanin B
Alternate Name(s) 2,3-Dihydro-3,7-bis(1'',1''-dimethylallyl)-2-(4'-hydroxy-3'-methoxyphenyl)-10-methoxy-6H-1,4,5-trioxa-phenanthren-6-one 2,8-bis(1,1-dimethyl-2-propenyl)-3-(4-hydroxy-3-methoxyphenyl)-5-methoxy-2,3-dihydro-9H-[1,4]dioxino[2,3-h]chromen-9-one
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Formula C29H32O7
InChI InChI=1S/C29H32O7/c1-9-28(3,4)18-13-17-15-21(33-8)24-25(22(17)36-27(18)31)35-26(29(5,6)10-2)23(34-24)16-11-12-19(30)20(14-16)32-7/h9-15,23,26,30H,1-2H2,3-8H3
InChIKey IVPNQUAZPQHETD-UHFFFAOYSA-N
Molecular Weight 492.568 g/mol
SMILES Oc1ccc(C2C(Oc3c(O2)c(OC)cc2C=C(C(C=C)(C)C)C(Oc32)=O)C(C=C)(C)C)cc1OC
SPLASH splash10-006x-0044900000-6e60438c4da87587d00c
Source of Spectrum H-87-2810-2
Wiley ID 1564166