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Heneicomycin

View entire compound with spectra: 1 MS (GC)

Heneicomycin
SpectraBase Compound ID 3obxoZNX7Jc
InChI InChI=1S/C44H62N2O11/c1-10-12-14-22-34-43(6,7)33(48)26-44(54,57-34)30(11-2)41(52)45-24-18-17-20-28(4)39(55-9)29(5)40-38(51)37(50)32(56-40)21-16-13-15-19-27(3)36(49)35-31(47)23-25-46(8)42(35)53/h10,12-23,25,29-30,32-34,37-40,47-48,50-51,54H,11,24,26H2,1-9H3,(H,45,52)/b12-10+,15-13+,18-17+,21-16+,22-14+,27-19+,28-20+/t29-,30+,32-,33+,34-,37+,38+,39-,40+,44+/m1/s1
InChIKey VKGDSUWMXCVJEA-JVBHNGSHSA-N
Mol Weight 795.0 g/mol
Molecular Formula C44H62N2O11
Exact Mass 794.435361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzHZTccsHup
Name Heneicomycin
CAS Registry Number 66170-37-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H62N2O11
InChI InChI=1S/C44H62N2O11/c1-10-12-14-22-34-43(6,7)33(48)26-44(54,57-34)30(11-2)41(52)45-24-18-17-20-28(4)39(55-9)29(5)40-38(51)37(50)32(56-40)21-16-13-15-19-27(3)36(49)35-31(47)23-25-46(8)42(35)53/h10,12-23,25,29-30,32-34,37-40,47-48,50-51,54H,11,24,26H2,1-9H3,(H,45,52)/b12-10+,15-13+,18-17+,21-16+,22-14+,27-19+,28-20+/t29-,30+,32-,33+,34-,37+,38+,39-,40+,44+/m1/s1
InChIKey VKGDSUWMXCVJEA-JVBHNGSHSA-N
Molecular Weight 794.983 g/mol
SMILES OC=1C=CN(C(C1C(\C(=C\C=C\C=C\[C@]1(O[C@]([C@]([C@]1(O)[H])(O)[H])([C@@]([C@@](\C(=C\C=C\CNC([C@@]([C@]1(O[C@](\C=C\C=C\C)(C([C@](C1)(O)[H])(C)C)[H])O)(CC)[H])=O)C)(OC)[H])(C)[H])[H])[H])C)=O)=O)C
SPLASH splash10-0ffy-9610000000-bcaea3d6d2a1558e07fd
Source of Spectrum W5-1989-10051-1
Synonyms 2-{2,4-dihydroxy-5,5-dimethyl-6-[(1Z,3E)-penta-1,3-dien-1-yl]oxan-2-yl}-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]oxolan-2-yl]-6-methoxy-5-methylocta-2,4-dien-1-yl]butanamide 2H-pyran-2-acetamide, N-((2E,4E,6S,7R)-7-((2S,3S,4R,5R)-5-((1E,3E,5E)-7-(1,2-dihydro-4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrienyl)tetrahydro-3,4-dihydroxy-2-furanyl)-6-methoxy-5-methyl-2,4-octadienyl)-.alpha.-ethyltetrahydro-2,4-dihydroxy-5,5-dimethyl-6-((1E,3Z)-1,3-pentadienyl)-, (alphas,2S,4S,6S)- 2H-pyran-2-acetamide, N-(7-(5-(7-(1,2-dihydro-4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrienyl)tetrahydro-3,4-dihydroxy-2-furanyl)-6-methoxy-5-methyl-2,4-octadienyl)-.alpha.-ethyltetrahydro-2,4-dihydroxy-5,5-dimethyl-6-(1,3-pentadienyl)-, (2S-(2alpha,2(R*(2E,4E,6R*,7S*(2R*,3R*,4S*,5S*(1E,3E,5E)))),4beta,6beta(1E,3E)))- 30-Deoxy-1-methylmocimycin A21A Antibiotic A 21a Mocimycin, 30-deoxy-1-methyl-
Wiley ID 1417081