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2-Decarboxy-7-dehydroxy-3-demethoxy-3,7-dioxomonensin
SpectraBase Compound ID 8MRqpYkQ0UB
InChI InChI=1S/C34H56O9/c1-9-24(36)22(6)29-23(7)25(37)15-33(42-29)16-31(8,18-39-33)27-11-12-32(10-2,41-27)30-20(4)14-26(40-30)28-19(3)13-21(5)34(38,17-35)43-28/h19-23,26-30,35,38H,9-18H2,1-8H3
InChIKey VAIQAKSPLDFGCY-UHFFFAOYSA-N
Mol Weight 608.8 g/mol
Molecular Formula C34H56O9
Exact Mass 608.392433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XzkUXoS0B
Name 2-Decarboxy-7-dehydroxy-3-demethoxy-3,7-dioxomonensin
Alternate Name(s) 2-[5-ethyl-5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-2,8-dimethyl-9-(3-oxopentan-2-yl)-4,10-dioxaspiro[4.5]decan-7-one 3-[5-ethyl-5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-oxanyl]-3-methyl-2-oxolanyl]-2-oxolanyl]-3,8-dimethyl-7-(3-oxopentan-2-yl)-1,6-dioxaspiro[4.5]decan-9-one 3-[5-ethyl-5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-3,8-dimethyl-7-(3-oxopentan-2-yl)-1,6-dioxaspiro[4.5]decan-9-one 3-[5-ethyl-5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-tetrahydropyran-2-yl]-3-methyl-tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-3,8-dimethyl-7-(1-methyl-2-oxo-butyl)-1,6-dioxaspiro[4.5]decan-9-one 3-[5-ethyl-5-[5-[6-(hydroxymethyl)-3,5-dimethyl-6-oxidanyl-oxan-2-yl]-3-methyl-oxolan-2-yl]oxolan-2-yl]-3,8-dimethyl-7-(3-oxidanylidenepentan-2-yl)-1,6-dioxaspiro[4.5]decan-9-one
CAS Registry Number 92009-91-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H56O9
InChI InChI=1S/C34H56O9/c1-9-24(36)22(6)29-23(7)25(37)15-33(42-29)16-31(8,18-39-33)27-11-12-32(10-2,41-27)30-20(4)14-26(40-30)28-19(3)13-21(5)34(38,17-35)43-28/h19-23,26-30,35,38H,9-18H2,1-8H3
InChIKey VAIQAKSPLDFGCY-UHFFFAOYSA-N
Molecular Weight 608.813 g/mol
SMILES OC1(CO)OC(C2OC(C3(OC(C4(COC5(C4)CC(C(C(O5)C(C)C(CC)=O)C)=O)C)CC3)CC)C(C2)C)C(CC1C)C
SPLASH splash10-0006-0009000000-ca0dfae8d41147ab25e8
Source of Spectrum W5-1989-38424-27112
Wiley ID 1410755