ChemSpider 2D Image | (7S,11S,12R,13S,14R,15R,16R,17S,18S)-6-[(Allyloxy)amino]-15,17-dihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-27-methylene-2,23,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1~4,7~.0~5,28~]triacon ta-1(28),3,5,9,19,21,25-heptaen-13-yl acetate | C41H52N2O11

(7S,11S,12R,13S,14R,15R,16R,17S,18S)-6-[(Allyloxy)amino]-15,17-dihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-27-methylene-2,23,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triacon ta-1(28),3,5,9,19,21,25-heptaen-13-yl acetate

  • Molecular FormulaC41H52N2O11
  • Average mass748.858 Da
  • Monoisotopic mass748.357117 Da
  • ChemSpider ID9680728

  • 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,11S,12R,13S,14R,15R,16R,17S,18S)-6-[(Allyloxy)amino]-15,17-dihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-27-methylen-2,23,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triacont a-1(28),3,5,9,19,21,25-heptaen-13-yl-acetat [German] [ACD/IUPAC Name]
(7S,11S,12R,13S,14R,15R,16R,17S,18S)-6-[(Allyloxy)amino]-15,17-dihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-27-methylene-2,23,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triacon ta-1(28),3,5,9,19,21,25-heptaen-13-yl acetate [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-5,6,11(2H,9H)-trione, 21-(acetyloxy)-17,19-dihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-9-methylene-1-[(2-propen-1-yloxy)amino]-, (2S ,16S,17S,18R,19R,20R,21S,22R,23S)- [ACD/Index Name]
Acétate de (7S,11S,12R,13S,14R,15R,16R,17S,18S)-6-[(allyloxy)amino]-15,17-dihydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-27-méthylène-2,23,29-trioxo-8,30-dioxa-24-azatétracyclo[23.3.1.14,7.05, 28]triaconta-1(28),3,5,9,19,21,25-heptaén-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: 1.588
Molar Refractivity: 200.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 99.62
ACD/KOC (pH 5.5): 937.54
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 99.06
ACD/KOC (pH 7.4): 932.28
Polar Surface Area: 179 Å2
Polarizability: 79.3±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 594.4±5.0 cm3

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