ChemSpider 2D Image | (1S,4R,6S,11R,21S,23R,26S)-15-Hydroxy-11,18,21-trimethyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.1~1,20~.0~2,12~.0~4,6~.0~6,11~.0~15,19~.0~18,23~.0~21,26~]triacont-8-ene-10,16,25,30-tetrone | C28H30O10

(1S,4R,6S,11R,21S,23R,26S)-15-Hydroxy-11,18,21-trimethyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.04,6.06,11.015,19.018,23.021,26]triacont-8-ene-10,16,25,30-tetrone

  • Molecular FormulaC28H30O10
  • Average mass526.532 Da
  • Monoisotopic mass526.183899 Da
  • ChemSpider ID4476063

  • defined stereocentres - 6 of 13 defined stereocentres

More details:

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

(1S,4R,6S,11R,21S,23R,26S)-15-Hydroxy-11,18,21-trimethyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.04,6.06,11.015,19.018,23.021,26]triacont-8-en-10,16,25,30-tetron [German] [ACD/IUPAC Name]
(1S,4R,6S,11R,21S,23R,26S)-15-Hydroxy-11,18,21-trimethyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.04,6.06,11.015,19.018,23.021,26]triacont-8-ene-10,16,25,30-tetrone [ACD/IUPAC Name]
(1S,4R,6S,11R,21S,23R,26S)-15-Hydroxy-11,18,21-triméthyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.04,6.06,11.015,19.018,23.021,26]triacont-8-ène-10,16,25,30-tétrone [French] [ACD/IUPAC Name]
5β,6β-Epoxyphysalin B

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.668
Molar Refractivity: 123.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.85
ACD/KOC (pH 5.5): 54.09
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.85
ACD/KOC (pH 7.4): 54.09
Polar Surface Area: 138 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 74.2±5.0 dyne/cm
Molar Volume: 332.2±5.0 cm3

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