(4R,5S,6S,7R,9R,11E,13E,15R,16R)-16-Ethyl-4-Hydroxy-15-(Hydroxymethyl)-5,9,13-Trimethyl-2,10-Dioxo-7-(2-Oxoethyl)Oxacyclohexadeca-11,13-Dien-6-Yl 3,4,6-Trideoxy-3-(Dimethylamino)-β-D-Xylo-Hexopyranoside

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Properties Simple | Detailed

Formula C31H51NO9
IUPAC Name 2-[(4r,5s,6s,7r,9r,11e,13e,15r,16r)-6-[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Molecular Mass 581.738 g·mol−1
Heat of Formation -1777.9 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 730.18 Å 3
Surface Area 510.17 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
Synonyms
  • 12,13-deepoxy-4'-deoxy-12,13-didehydro-23-hydroxycirramycin a
  • 2-[(4r,5s,6s,7r,9r,11e,13e,15r,16r)-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal
  • 2-[(4r,5s,6s,7r,9r,11e,13e,15r,16r)-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
  • 2-[(4r,5s,6s,7r,9r,11e,13e,15r,16r)-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-2,10-diketo-5,9,13-trimethyl-15-methylol-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
  • 2-[(4r,5s,6s,7r,9r,11e,13e,15r,16r)-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
  • 2-[(4r,5s,6s,7r,9r,11e,13e,15r,16r)-6-[[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
  • 4'-deoxymycaminosyl tylonolide
  • 4'-deoxymycaminosyltylonolide
  • antibiotic ys 02930k-d
  • cirramycin a1, 12,13-deepoxy-4'-deoxy-12,13-didehydro-23-hydroxy-
  • izenamicin b(sub 3)
  • tylonolide, 5-o-(3,4,6-trideoxy-3-(dimethylamino)-beta-d-glucopyranosyl)-
CAS Number(s)
  • 80240-61-5
InChIKey GOYLWILZRUOCQE-FUZZWQSMSA-N
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