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Botcinin B
SpectraBase Compound ID ItE1qmCly7y
InChI InChI=1S/C24H38O8/c1-7-8-9-10-11-18(26)12-13-19(27)30-20-14(2)21-24(6,32-16(20)4)22(29-17(5)25)15(3)23(28)31-21/h12-16,18,20-22,26H,7-11H2,1-6H3/b13-12+/t14-,15-,16+,18+,20-,21+,22+,24+/m1/s1
InChIKey ZLZXAWHFKFHHNF-XLWGWGPTSA-N
Mol Weight 454.6 g/mol
Molecular Formula C24H38O8
Exact Mass 454.256668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VT928vTEVK
Name Botcinin B
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38O8
InChI InChI=1S/C24H38O8/c1-7-8-9-10-11-18(26)12-13-19(27)30-20-14(2)21-24(6,32-16(20)4)22(29-17(5)25)15(3)23(28)31-21/h12-16,18,20-22,26H,7-11H2,1-6H3/b13-12+/t14-,15-,16+,18+,20-,21+,22+,24+/m1/s1
InChIKey ZLZXAWHFKFHHNF-XLWGWGPTSA-N
Instrument Name JEOL AX505HA
Ionization Type EI
Literature Reference DOI 10.1021/np0503855
Molecular Weight 454.560 g/mol
Optical Rotation [a]D25 = -35 (c = 0.50, EtOH)
Reported Formula C24H38O8
SMILES O[C@](\C=C\C(O[C@]1([C@@](O[C@]2([C@@](OC([C@@]([C@@]2(OC(C)=O)[H])(C)[H])=O)([C@@]1(C)[H])[H])C)(C)[H])[H])=O)(CCCCCC)[H]
SPLASH splash10-014i-5980000000-9d709a617d919dc3d069
Source of Spectrum G4-68-1770-2
Wiley ID 1879503