Found 34 results

Search term: MF = 'C_{44}H_{58}N_{4}O_{12}'
ChemSpider 2D Image | (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-Pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-26-{(E)-[(2E)-(1-piperidinylmethylene)hydrazono]methyl}-8,30-dioxa-24-az atetracyclo[23.3.1.1~4,7~.0~5,28~]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate | C44H58N4O12

(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-Pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-26-{(E)-[(2E)-(1-piperidinylmethylene)hydrazono]methyl}-8,30-dioxa-24-az atetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate

  • Molecular FormulaC44H58N4O12
  • Average mass834.951 Da
  • Monoisotopic mass834.405151 Da
  • ChemSpider ID21256756

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-Pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-26-{(E)-[(2E)-(1-piperidinylmethylen)hydrazono]methyl}-8,30-dioxa-24-aza ;tetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl-acetat [German] [ACD/IUPAC Name]
(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-Pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-26-{(E)-[(2E)-(1-piperidinylmethylene)hydrazono]methyl}-8,30-dioxa-24-az ;atetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-8-carboxaldehyde, 21-(acetyloxy)-1,2-dihydro-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-, 8-[2-[(1E)-1-pi peridinylmethylene]hydrazone], (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)- [ACD/Index Name]
Acétate de (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-6,23-dioxo-26-{(E)-[(2E)-(1-pipéridinylméthylène)hydrazono]méthyl}-8,30- ;dioxa-24-azatétracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaén-13-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 216.9±0.5 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 9.13
ACD/KOC (pH 5.5): 42.17
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 2.87
ACD/KOC (pH 7.4): 13.27
Polar Surface Area: 229 Å2
Polarizability: 86.0±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 622.5±7.0 cm3

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