Found 79 results

Search term: MF = 'C_{32}H_{49}NO_{4}'
ChemSpider 2D Image | (2S,3R,3aS,6S,6a'S,6b'S,7aR,12a'S,12b'R)-4-[2-(2-Hydroxyethoxy)ethyl]-3,6,11',12b'-tetramethyl-1',2',3a,4,5,5',6,6',6a',6b',7,7',7a,8',10',12',12a',12b'-octadecahydro-3H,3'H-spiro[furo[3,2-b]pyridine- 2,9'-naphtho[2,1-a]azulen]-3'-one | C32H49NO4

(2S,3R,3aS,6S,6a'S,6b'S,7aR,12a'S,12b'R)-4-[2-(2-Hydroxyethoxy)ethyl]-3,6,11',12b'-tetramethyl-1',2',3a,4,5,5',6,6',6a',6b',7,7',7a,8',10',12',12a',12b'-octadecahydro-3H,3'H-spiro[furo[3,2-b]pyridine- 2,9'-naphtho[2,1-a]azulen]-3'-one

  • Molecular FormulaC32H49NO4
  • Average mass511.736 Da
  • Monoisotopic mass511.366150 Da
  • ChemSpider ID9859645

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2S,3R,3aS,6S,6a'S,6b'S,7aR,12a'S,12b'R)-4-[2-(2-Hydroxyethoxy)ethyl]-3,6,11',12b'-tetramethyl-1',2',3a,4,5,5',6,6',6a',6b',7,7',7a,8',10',12',12a',12b'-octadecahydro-3H,3'H-spiro[furo[3,2-b]pyridine- 2,9'-naphtho[2,1-a]azulen]-3'-one [ACD/IUPAC Name]
Spiro[furo[3,2-b]pyridine-2(3H),9'(3'H)-naphth[2,1-a]azulen]-3'-one, 1',2',3a,4,5,5',6,6',6'a,6'b,7,7',7a,8',10',12',12'a,12'b-octadecahydro-4-[2-(2-hydroxyethoxy)ethyl]-3,6,11',12'b-tetramethyl-, (2S ,3R,3aS,6S,6a'S,6b'S,7aR,12a'S,12b'R)- [ACD/Index Name]
(1'S,2S,2'R,3R,3aS,6S,7aR,10'S,11'S)-4-[2-(2-hydroxyethoxy)ethyl]-2',3,6,16'-tetramethyl-3a,4,5,6,7,7a-hexahydro-3H-spiro[furo[3,2-b]pyridine-2,14'-tetracyclo[8.8.0.02,7.011,17]octadecane]-6',16'-dien-5'-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 646.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.2±6.0 kJ/mol
Flash Point: 344.8±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 146.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 28.52
ACD/KOC (pH 5.5): 61.74
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 1101.26
ACD/KOC (pH 7.4): 2383.74
Polar Surface Area: 59 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 442.5±5.0 cm3

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