ChemSpider 2D Image | (1R,3S,4S,6R,9R,13E,20E,22Z,26R,27S)-15-Hydroxy-6,14,18,27-tetramethyl-12H,24H-spiro[2,5,11,17,25,30-hexaoxahexacyclo[24.2.1.1~16,19~.0~3,9~.0~4,6~.0~9,27~]triaconta-13,20,22-triene-28,2'-oxirane]-12, 24-dione | C29H36O10

(1R,3S,4S,6R,9R,13E,20E,22Z,26R,27S)-15-Hydroxy-6,14,18,27-tetramethyl-12H,24H-spiro[2,5,11,17,25,30-hexaoxahexacyclo[24.2.1.116,19.03,9.04,6.09,27]triaconta-13,20,22-triene-28,2'-oxirane]-12, 24-dione

  • Molecular FormulaC29H36O10
  • Average mass544.590 Da
  • Monoisotopic mass544.230835 Da
  • ChemSpider ID23171152

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 12 defined stereocentres

More details:

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

(1aS,1bS,3R,4aS,5R,8Z,10E,17E,21aR,23aR)-16-hydroxy-4a,13,17,23a-tetramethyl-1a,4a,5,12,13,15,16,22,23,23a-decahydro-1bH,3H,7H,19H-spiro[12,15-epoxy-3,5-methanooxireno[h][1,6,12]trioxacyclononadecino[3,4-d]chromene-4,2'-oxirane]-7,19-dione
(1R,3S,4S,6R,9R,13E,20E,22Z,26R,27S)-15-Hydroxy-6,14,18,27-tetramethyl-12H,24H-spiro[2,5,11,17,25,30-hexaoxahexacyclo[24.2.1.116,19.03,9.04,6.09,27]triaconta-13,20,22-triene-28,2'-oxirane]-12, 24-dione [ACD/IUPAC Name]
9β,10β-epoxyroridin J

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.609
Molar Refractivity: 135.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.71
ACD/KOC (pH 5.5): 51.07
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.71
ACD/KOC (pH 7.4): 51.07
Polar Surface Area: 126 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 390.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement