(2E,4E,7E,9S)-10-[(4S,4As,6R,8S,8Ar)-4-({(2S)-2-Hydroxy-2-[(2R,5R,6R)-2-Methoxy-5,6-Dimethyl-4-Methylenetetrahydro-2H-Pyran-2-Yl]Acetyl}Amino)-8-Methoxy-7,7-Dimethylhexahydropyrano[3,2-D][1,3]Dioxin-6-Yl]-9-Methoxy-2,4,7-Decatrienoic Acid

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Properties Simple | Detailed

Formula C32H49NO11
IUPAC Name (2e,4e,7e,9s)-10-[(4s,4as,6r,8s,8ar)-4-[[(2s)-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylene-tetrahydropyran-2-yl]acetyl]amino]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4h-pyrano[3,2-d][1,3]dioxin-6-yl]-9-methoxy-deca-2,4,7-trienoic acid
Molecular Mass 623.732 g·mol−1
Heat of Formation -1942.5 ± 16.7 kJ·mol−1
Dipole Moment 8.72 ± 1.08 D
Volume 763.29 Å 3
Surface Area 554.1 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,7e,9s)-10-[(4s,4as,6r,8s,8ar)-4-[[(2s)-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylene-2-tetrahydropyranyl]-1-oxoethyl]amino]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4h-pyrano[5,6-d][1,3]dioxin-6-yl]-9-methoxydeca-2,4,7-trienoic acid
  • (2e,4e,7e,9s)-10-[(4s,4as,6r,8s,8ar)-4-[[(2s)-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylene-tetrahydropyran-2-yl]acetyl]amino]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4h-pyrano[5,6-d][1,3]dioxin-6-yl]-9-methoxy-deca-2,4,7-trienoic acid
  • (2e,4e,7e,9s)-10-[(4s,4as,6r,8s,8ar)-4-[[(2s)-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylidene-oxan-2-yl]ethanoyl]amino]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4h-pyrano[5,6-d][1,3]dioxin-6-yl]-9-methoxy-deca-2,4,7-trienoic acid
InChIKey PSOMSXIQCPHRCJ-SHASYWGFSA-N
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