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12-BETA-HYDROXYCHAETOVIRIDIN_C
SpectraBase Compound ID Hg9zWqS3He4
InChI InChI=1S/C23H27ClO7/c1-10(12(3)25)6-7-14-8-15-16(9-30-14)18-17(20(27)11(2)13(4)26)22(29)31-23(18,5)21(28)19(15)24/h6-13,17-18,25-26H,1-5H3/b7-6+/t10-,11+,12-,13+,17-,18-,23+/m1/s1
InChIKey MEPQPODJTXSHEP-HETSEVKPSA-N
Mol Weight 450.92 g/mol
Molecular Formula C23H27ClO7
Exact Mass 450.144531 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5SyzvzNvogN
Name 12.beta.-Hydroxychaetoviridin C
Appearance Yellow amorphous solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27ClO7
InChI InChI=1S/C23H27ClO7/c1-10(12(3)25)6-7-14-8-15-16(9-30-14)18-17(20(27)11(2)13(4)26)22(29)31-23(18,5)21(28)19(15)24/h6-13,17-18,25-26H,1-5H3/b7-6+/t10-,11+,12-,13+,17-,18-,23+/m1/s1
InChIKey MEPQPODJTXSHEP-HETSEVKPSA-N
Instrument Name Agilent-LR and Finningan Mat95 S
Ionization Type EI
Literature Reference DOI 10.1021/np200110f
Molecular Weight 450.915 g/mol
Optical Rotation [a]D20 = -125 (c = 0.002, CHCl3)
Reported Formula C23H27ClO7
SMILES O[C@]([C@@](C([C@]1([C@]2(C3=COC(\C=C\[C@]([C@@](C)(O)[H])(C)[H])=CC3=C(C([C@]2(OC1=O)C)=O)Cl)[H])[H])=O)(C)[H])(C)[H]
SPLASH splash10-0nmi-0006900000-599537d8037a8aed4030
Source of Spectrum G4-74-SM21-10
Wiley ID 1852094