ChemSpider 2D Image | (2S,3'R,4'S,4aR,5aR,7R,7aR,7bR,8R,10S,11aS,12aS,12bS,14aR)-2,3',4'-Trihydroxy-1,1,4',7a,8,12a-hexamethyloctadecahydro-2H,3'H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-furan]-7 -yl acetate | C32H50O7

(2S,3'R,4'S,4aR,5aR,7R,7aR,7bR,8R,10S,11aS,12aS,12bS,14aR)-2,3',4'-Trihydroxy-1,1,4',7a,8,12a-hexamethyloctadecahydro-2H,3'H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-furan]-7 -yl acetate

  • Molecular FormulaC32H50O7
  • Average mass546.735 Da
  • Monoisotopic mass546.355652 Da
  • ChemSpider ID58826931

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(2S,3'R,4'S,4aR,5aR,7R,7aR,7bR,8R,10S,11aS,12aS,12bS,14aR)-2,3',4'-Trihydroxy-1,1,4',7a,8,12a-hexamethyloctadecahydro-2H,3'H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-furan]-7 -yl acetate [ACD/IUPAC Name]
Spiro[5H-cyclopropa[1',8'a]naphth[2',1':4,5]indeno[2,1-b]pyran-10(2H),2'(3'H)-furan]-2,3',4',7-tetrol, octadecahydro-1,1,4',7a,8,12a-hexamethyl-, 7-acetate, (2S,3'R,4'S,4aR,5aR,7R,7aR,7bR,8R,10S,11aS, 12aS,12bS,14aR)- [ACD/Index 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: 653.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 110.2±6.0 kJ/mol
Flash Point: 204.4±25.0 °C
Index of Refraction: 1.586
Molar Refractivity: 145.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3129.07
ACD/KOC (pH 5.5): 11056.38
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3129.07
ACD/KOC (pH 7.4): 11056.37
Polar Surface Area: 105 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 434.2±5.0 cm3

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