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DODOVISCIN_D;2-{3-[(2-S)-2,3-DIHYDROXY-3-METHYLBUTYL]-5-(3-METHYL-2-BUTEN-1-YL)-4-HYDROXYPHENYL}-3,6-DIMETHOXY-
SpectraBase Compound ID J1lfufNSyIo
InChI InChI=1S/C27H32O9/c1-13(2)7-8-14-9-16(10-15(21(14)30)11-19(29)27(3,4)33)24-26(35-6)23(32)20-18(36-24)12-17(28)25(34-5)22(20)31/h7,9-10,12,19,28-31,33H,8,11H2,1-6H3/t19-/m0/s1
InChIKey RYRNVVMPKVKDKR-IBGZPJMESA-N
Mol Weight 500.5 g/mol
Molecular Formula C27H32O9
Exact Mass 500.204633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8jNVy6YdmQp
Name Dodoviscin D
Appearance yellow amorphous powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32O9
InChI InChI=1S/C27H32O9/c1-13(2)7-8-14-9-16(10-15(21(14)30)11-19(29)27(3,4)33)24-26(35-6)23(32)20-18(36-24)12-17(28)25(34-5)22(20)31/h7,9-10,12,19,28-31,33H,8,11H2,1-6H3/t19-/m0/s1
InChIKey RYRNVVMPKVKDKR-IBGZPJMESA-N
Instrument Name Agilent 5973N
Ionization Type EI
Literature Reference DOI 10.1021/np2009797
Molecular Weight 500.544 g/mol
Optical Rotation [a]25D = -56.9 (c = 0.10, MeOH)
Reported Formula C27H32O9
SMILES OC([C@](Cc1cc(cc(c1O)CC=C(C)C)C1=C(C(c2c(c(c(cc2O1)O)OC)O)=O)OC)(O)[H])(C)C
SPLASH splash10-0w29-3219720000-8fa22670124ee6ba041f
Source of Spectrum G4-75-SM22-4
Wiley ID 1854780