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BOTICIN_A
SpectraBase Compound ID 4SreCxG66nn
InChI InChI=1S/C22H34O8/c1-7-8-9-16(24)10-11-17(25)28-18-12(2)19-22(6,30-14(18)4)20(27-15(5)23)13(3)21(26)29-19/h10-14,16,18-20,24H,7-9H2,1-6H3/b11-10+/t12-,13-,14+,16+,18-,19+,20+,22+/m1/s1
InChIKey WLRQVOMHDQWLIH-WMLFUGEISA-N
Mol Weight 426.5 g/mol
Molecular Formula C22H34O8
Exact Mass 426.225368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzaTuZzvyFd
Name Botcinin A
Appearance Colorless needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O8
InChI InChI=1S/C22H34O8/c1-7-8-9-16(24)10-11-17(25)28-18-12(2)19-22(6,30-14(18)4)20(27-15(5)23)13(3)21(26)29-19/h10-14,16,18-20,24H,7-9H2,1-6H3/b11-10+/t12-,13-,14+,16+,18-,19+,20+,22+/m1/s1
InChIKey WLRQVOMHDQWLIH-WMLFUGEISA-N
Instrument Name JEOL AX505HA
Ionization Type EI
Literature Reference DOI 10.1021/np0503855
Molecular Weight 426.506 g/mol
Optical Rotation [a]D25 = -33 (c = 0.50, EtOH)
Reported Formula C22H34O8
SMILES O[C@](\C=C\C(O[C@@]1([C@]([C@@]2(OC([C@@]([C@@]([C@]2(O[C@]1(C)[H])C)(OC(C)=O)[H])(C)[H])=O)[H])(C)[H])[H])=O)(CCCC)[H]
SPLASH splash10-0avj-9830000000-8e21e8664258c4ac4a22
Source of Spectrum G4-68-1770-1
Wiley ID 1879502