ChemSpider 2D Image | (11S,12R,15S,24S,25S)-12,25-Dihydroxy-18,19,20-trimethoxy-11,12,24,25-tetramethyl-4,6,9,14-tetraoxapentacyclo[13.7.3.0~3,7~.0~8,22~.0~16,21~]pentacosa-1(22),2,7,16,18,20-hexaen-13-one | C28H34O10

(11S,12R,15S,24S,25S)-12,25-Dihydroxy-18,19,20-trimethoxy-11,12,24,25-tetramethyl-4,6,9,14-tetraoxapentacyclo[13.7.3.03,7.08,22.016,21]pentacosa-1(22),2,7,16,18,20-hexaen-13-one

  • Molecular FormulaC28H34O10
  • Average mass530.564 Da
  • Monoisotopic mass530.215210 Da
  • ChemSpider ID2342144
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(11S,12R,15S,24S,25S)-12,25-Dihydroxy-18,19,20-trimethoxy-11,12,24,25-tetramethyl-4,6,9,14-tetraoxapentacyclo[13.7.3.03,7.08,22.016,21]pentacosa-1(22),2,7,16,18,20-hexaen-13-on [German] [ACD/IUPAC Name]
(11S,12R,15S,24S,25S)-12,25-Dihydroxy-18,19,20-trimethoxy-11,12,24,25-tetramethyl-4,6,9,14-tetraoxapentacyclo[13.7.3.03,7.08,22.016,21]pentacosa-1(22),2,7,16,18,20-hexaen-13-one [ACD/IUPAC Name]
(11S,12R,15S,24S,25S)-12,25-Dihydroxy-18,19,20-triméthoxy-11,12,24,25-tétraméthyl-4,6,9,14-tétraoxapentacyclo[13.7.3.03,7.08,22.016,21]pentacosa-1(22),2,7,16,18,20-hexaén-13-one [French] [ACD/IUPAC Name]
10,15-Propano-10H-1,3,4,9-tetraoxabenzo[3,4]cycloundec[1,2-e]inden-8(5H)-one, 6,7-dihydro-7,19-dihydroxy-12,13,14-trimethoxy-6,7,18,19-tetramethyl-, (6S,7R,10S,18S,19S)- [ACD/Index Name]
[60546-10-3]
5,13-(Epoxybutanoxy)benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-18-one, 5,6,7,8-tetrahydro-6,17-dihydroxy-1,2,3-trimethoxy-6,7,16,17-tetramethyl-, stereoisomer
60546-10-3 [RN]
Gomisin D
MFCD28964212

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

Density: 1.3±0.1 g/cm3
Boiling Point: 698.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 229.3±25.0 °C
Index of Refraction: 1.561
Molar Refractivity: 135.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 205.05
ACD/KOC (pH 5.5): 1571.97
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 205.05
ACD/KOC (pH 7.4): 1571.95
Polar Surface Area: 122 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 419.0±3.0 cm3

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