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[4,5-Dihydroxy-6-methyl-2-[(1,1,4,7-tetramethyl-2,3,4A,5,6,7,7A,7B-octahydro-1ah-cyclopropa[E]azulen-4-yl)oxy]oxan-3-yl] (E)-3-methylpent-2-enoate

View entire compound with spectra: 1 NMR

[4,5-Dihydroxy-6-methyl-2-[(1,1,4,7-tetramethyl-2,3,4A,5,6,7,7A,7B-octahydro-1ah-cyclopropa[E]azulen-4-yl)oxy]oxan-3-yl] (E)-3-methylpent-2-enoate
SpectraBase Compound ID BcDIN4wDbxU
InChI InChI=1S/C27H44O6/c1-8-14(2)13-19(28)32-24-23(30)22(29)16(4)31-25(24)33-27(7)12-11-18-21(26(18,5)6)20-15(3)9-10-17(20)27/h13,15-18,20-25,29-30H,8-12H2,1-7H3/b14-13+
InChIKey UQUYXFBISSCISA-BUHFOSPRSA-N
Mol Weight 464.6 g/mol
Molecular Formula C27H44O6
Exact Mass 464.313789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3sXETz80T3q
Name [4,5-Dihydroxy-6-methyl-2-[(1,1,4,7-tetramethyl-2,3,4A,5,6,7,7A,7B-octahydro-1ah-cyclopropa[E]azulen-4-yl)oxy]oxan-3-yl] (E)-3-methylpent-2-enoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.313789131 u
Formula C27H44O6
InChI InChI=1S/C27H44O6/c1-8-14(2)13-19(28)32-24-23(30)22(29)16(4)31-25(24)33-27(7)12-11-18-21(26(18,5)6)20-15(3)9-10-17(20)27/h13,15-18,20-25,29-30H,8-12H2,1-7H3/b14-13+
InChIKey UQUYXFBISSCISA-BUHFOSPRSA-N
Molecular Weight 464.643 g/mol
SMILES C1(OC2C(OC(=O)\C=C/(C)CC)C(O)C(O)C(C)O2)(C)CCC2C(C3C1CCC3C)C2(C)C