ChemSpider 2D Image | (7R,8R,9S,10R,14S,17R)-10,13-Dimethyl-7-sulfanyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione | C22H30O3S

(7R,8R,9S,10R,14S,17R)-10,13-Dimethyl-7-sulfanyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione

  • Molecular FormulaC22H30O3S
  • Average mass374.537 Da
  • Monoisotopic mass374.191559 Da
  • ChemSpider ID58817151
  • defined stereocentres - 6 of 7 defined stereocentres


More details:






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

(7R,8R,9S,10R,14S,17R)-10,13-Dimethyl-7-sulfanyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione [ACD/IUPAC Name]
Spiro[17H-cyclopenta[a]phenanthrene-17,2'(5'H)-furan]-3,5'(2H)-dione, 1,3',4',6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-7-mercapto-10,13-dimethyl-, (7R,8R,9S,10R,14S,17R)- [ACD/Index Name]
38753-76-3 [RN]
7A-THIOSPIRONOLACTONE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 561.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 457.3±18.0 °C
Index of Refraction: 1.587
Molar Refractivity: 103.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.35
ACD/KOC (pH 5.5): 853.42
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.21
ACD/KOC (pH 7.4): 852.02
Polar Surface Area: 82 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 306.9±5.0 cm3

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