[(8S)-8-Acetoxy-12-Hydroxy-2-{(2S,3R)-2-Methyl-3-[(1Z)-1-Propen-1-Yl]-2-Oxiranyl}-4,11-Dioxo-8,9,10,11-Tetrahydro-4H-Naphtho[2,3-H]Chromen-5-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C27H25O9+
IUPAC Name 2-[(8s)-8-acetoxy-12-hydroxy-2-[(2s,3r)-2-methyl-3-[(z)-prop-1-enyl]oxiran-2-yl]-4,11-dioxo-9,10-dihydro-8h-naphtho[2,3-h]chromen-1-ium-5-yl]acetic acid
Molecular Mass 493.482 g·mol−1
Heat of Formation -1293.1 ± 16.7 kJ·mol−1
Dipole Moment 1.89 ± 1.08 D
Volume 549.08 Å 3
Surface Area 468.01 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 1.80 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(8s)-8-acetoxy-12-hydroxy-2-[(2s,3r)-2-methyl-3-[(z)-prop-1-enyl]-2-oxiranyl]-4,11-dioxo-9,10-dihydro-8h-naphtho[7,6-h]chromen-5-yl]acetic acid
  • 2-[(8s)-8-acetoxy-12-hydroxy-2-[(2s,3r)-2-methyl-3-[(z)-prop-1-enyl]oxiran-2-yl]-4,11-dioxo-9,10-dihydro-8h-naphtho[7,6-h]chromen-5-yl]acetic acid
  • 2-[(8s)-8-acetoxy-12-hydroxy-4,11-diketo-2-[(2s,3r)-2-methyl-3-[(z)-prop-1-enyl]oxiran-2-yl]-9,10-dihydro-8h-naphtho[7,6-h]chromen-5-yl]acetic acid
  • 2-[(8s)-8-acetyloxy-12-hydroxy-2-[(2s,3r)-2-methyl-3-[(z)-prop-1-enyl]oxiran-2-yl]-4,11-dioxo-9,10-dihydro-8h-naphtho[7,6-h]chromen-5-yl]ethanoic acid
  • 4h-anthra(1,2-b)pyran-5-acetic acid, 8-(acetyloxy)-8,9,10,11-tetraahydro-12-hydroxy-2-(2-methyl-3-(1-propenyl)oxiranyl)-4,11-dioxo-
  • kapurimycin a3
CAS Number(s)
  • 129966-45-6
InChIKey GMKMVBAGONGKOV-ANGZKDRVSA-N
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