ChemSpider 2D Image | (1R,4bR,5R,6aR,10aR,10bR,12aR)-1-(3-Furyl)-1-(2-hydroxyethoxy)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-3,4b,5,6,6a,7,8,10a,10b,11,12,12a-dodecahydro-1H-naphtho[2,1-f]isochromen-5-yl acetate | C30H38O8

(1R,4bR,5R,6aR,10aR,10bR,12aR)-1-(3-Furyl)-1-(2-hydroxyethoxy)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-3,4b,5,6,6a,7,8,10a,10b,11,12,12a-dodecahydro-1H-naphtho[2,1-f]isochromen-5-yl acetate

  • Molecular FormulaC30H38O8
  • Average mass526.618 Da
  • Monoisotopic mass526.256653 Da
  • ChemSpider ID112458

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,4bR,5R,6aR,10aR,10bR,12aR)-1-(3-Furyl)-1-(2-hydroxyethoxy)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-3,4b,5,6,6a,7,8,10a,10b,11,12,12a-dodecahydro-1H-naphtho[2,1-f]isochromen-5-yl acetate [ACD/IUPAC Name]
(1R,4bR,5R,6aR,10aR,10bR,12aR)-1-(3-Furyl)-1-(2-hydroxyethoxy)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-3,4b,5,6,6a,7,8,10a,10b,11,12,12a-dodecahydro-1H-naphtho[2,1-f]isochromen-5-yl-acetat [German] [ACD/IUPAC Name]
1H-Phenanthro[2,1-c]pyran-3,8(4bH,7H)-dione, 5-(acetyloxy)-1-(3-furanyl)-5,6,6a,10a,10b,11,12,12a-octahydro-1-(2-hydroxyethoxy)-4b,7,7,10a,12a-pentamethyl-, (1R,4bR,5R,6aR,10aR,10bR,12aR)- [ACD/Index Name]
Acétate de (1R,4bR,5R,6aR,10aR,10bR,12aR)-1-(3-furyl)-1-(2-hydroxyéthoxy)-4b,7,7,10a,12a-pentaméthyl-3,8-dioxo-3,4b,5,6,6a,7,8,10a,10b,11,12,12a-dodécahydro-1H-naphto[2,1-f]isochromén-5-yle [French] [ACD/IUPAC Name]
140163-23-1 [RN]
17-Glycolyldeoxygedunin
D-Home-24-nor-17-oxachola-1,14,20-22-tetraene-3,16-dione, 7-(acetyloxy)-21,23-epoxy-17a-(2-hydroxyethoxy)-4,4,8-trimethyl-, (5α,7α,13α,17aα)-
D-Homo-24-nor-17-oxachola-1,14,20,22-tetraene-3,16-dione, 7-(acetyloxy)-21,23-epoxy-17a-(2-hydroxyethoxy)-4,4,8-trimethyl-, (5α,7α,13α,17aα)-
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL488927/
Mahmoodin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 657.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 351.3±31.5 °C
Index of Refraction: 1.577
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 495.10
ACD/KOC (pH 5.5): 2954.36
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 495.10
ACD/KOC (pH 7.4): 2954.36
Polar Surface Area: 112 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 416.7±5.0 cm3

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