Found 63 results

Search term: MF = 'C_{34}H_{49}NO_{5}'
ChemSpider 2D Image | (1S,2E)-1-[1-(5-Butyl-1,3-oxazol-2-yl)cyclopropyl]-4-[(4aR,5E,8aR)-5-{2-[(3R,5R)-3,5-dihydroxycyclohexylidene]ethylidene}decahydro-1-naphthalenyl]-2-buten-1-yl acetate | C34H49NO5

(1S,2E)-1-[1-(5-Butyl-1,3-oxazol-2-yl)cyclopropyl]-4-[(4aR,5E,8aR)-5-{2-[(3R,5R)-3,5-dihydroxycyclohexylidene]ethylidene}decahydro-1-naphthalenyl]-2-buten-1-yl acetate

  • Molecular FormulaC34H49NO5
  • Average mass551.757 Da
  • Monoisotopic mass551.361084 Da
  • ChemSpider ID9436396

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1S,2E)-1-[1-(5-Butyl-1,3-oxazol-2-yl)cyclopropyl]-4-[(4aR,5E,8aR)-5-{2-[(3R,5R)-3,5-dihydroxycyclohexyliden]ethyliden}decahydro-1-naphthalinyl]-2-buten-1-yl-acetat [German] [ACD/IUPAC Name]
(1S,2E)-1-[1-(5-Butyl-1,3-oxazol-2-yl)cyclopropyl]-4-[(4aR,5E,8aR)-5-{2-[(3R,5R)-3,5-dihydroxycyclohexylidene]ethylidene}decahydro-1-naphthalenyl]-2-buten-1-yl acetate [ACD/IUPAC Name]
1,3-Cyclohexanediol, 5-[(2E)-2-[(4aR,8aR)-5-[(2E,4S)-4-(acetyloxy)-4-[1-(5-butyl-2-oxazolyl)cyclopropyl]-2-buten-1-yl]octahydro-1(2H)-naphthalenylidene]ethylidene]-, (1R,3R)- [ACD/Index Name]
Acétate de (1S,2E)-1-[1-(5-butyl-1,3-oxazol-2-yl)cyclopropyl]-4-[(4aR,5E,8aR)-5-{2-[(3R,5R)-3,5-dihydroxycyclohexylidène]éthylidène}décahydro-1-naphtalényl]-2-butén-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 688.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 370.3±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 160.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 6.89
ACD/BCF (pH 5.5): 102406.01
ACD/KOC (pH 5.5): 134209.36
ACD/LogD (pH 7.4): 6.90
ACD/BCF (pH 7.4): 102559.15
ACD/KOC (pH 7.4): 134410.06
Polar Surface Area: 93 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 464.2±3.0 cm3

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