SpectraBase Compound ID | IPrtkU77Sms |
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InChI | InChI=1S/C31H42O5/c1-19-8-7-9-22(4)27-17-29(32)23(5)15-28(27)30(33)34-26-16-25(11-10-20(2)14-19)36-31(18-26)13-12-21(3)24(6)35-31/h7-10,15,17,19,21,24-26,32H,11-14,16,18H2,1-6H3/b8-7+,20-10+,22-9+/t19?,21-,24-,25?,26?,31-/m0/s1 |
InChIKey | PPMBESPRWFQXDF-UXINGMCJSA-N |
Mol Weight | 494.7 g/mol |
Molecular Formula | C31H42O5 |
Exact Mass | 494.303224 g/mol |
SpectraBase Spectrum ID | 5R5xM8UNBYS |
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Name | Milbemycin B3 |
CAS Registry Number | 56198-39-1 |
Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C31H42O5 |
InChI | InChI=1S/C31H42O5/c1-19-8-7-9-22(4)27-17-29(32)23(5)15-28(27)30(33)34-26-16-25(11-10-20(2)14-19)36-31(18-26)13-12-21(3)24(6)35-31/h7-10,15,17,19,21,24-26,32H,11-14,16,18H2,1-6H3/b8-7+,20-10+,22-9+/t19?,21-,24-,25?,26?,31-/m0/s1 |
InChIKey | PPMBESPRWFQXDF-UXINGMCJSA-N |
Instrument Name | Bruker WH-400 |
Literature Reference | P.J. Kocienski, S.D. Street, C. Yeates, J. Chem. Soc. Perkin I 2171 (1987). |
NMR Standard | not reported |
Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
Solvent | CDCl3 |