ChemSpider 2D Image | (3R,4S,5S,7R,8R,9Z,11S,14S,15R,17R)-3,8,14-Trihydroxy-17-[(S)-hydroxy{(2R,3R)-2-methyl-3-[(2S,3Z)-3-penten-2-yl]-2-oxiranyl}methyl]-4-methoxy-5,7,9,11,15-pentamethyloxacyclooctadec-9-ene-2,6,12,16-tet
rone | C32H50O11

(3R,4S,5S,7R,8R,9Z,11S,14S,15R,17R)-3,8,14-Trihydroxy-17-[(S)-hydroxy{(2R,3R)-2-methyl-3-[(2S,3Z)-3-penten-2-yl]-2-oxiranyl}methyl]-4-methoxy-5,7,9,11,15-pentamethyloxacyclooctadec-9-ene-2,6,12,16-tet rone

  • Molecular FormulaC32H50O11
  • Average mass610.733 Da
  • Monoisotopic mass610.335327 Da
  • ChemSpider ID4945368
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 defined stereocentres


More details:






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

(3R,4S,5S,7R,8R,9Z,11S,14S,15R,17R)-3,8,14-Trihydroxy-17-[(S)-hydroxy{(2R,3R)-2-methyl-3-[(2S,3Z)-3-penten-2-yl]-2-oxiranyl}methyl]-4-methoxy-5,7,9,11,15-pentamethyloxacyclooctadec-9-en-2,6,12,16-tetr on [German] [ACD/IUPAC Name]
(3R,4S,5S,7R,8R,9Z,11S,14S,15R,17R)-3,8,14-Trihydroxy-17-[(S)-hydroxy{(2R,3R)-2-methyl-3-[(2S,3Z)-3-penten-2-yl]-2-oxiranyl}methyl]-4-methoxy-5,7,9,11,15-pentamethyloxacyclooctadec-9-ene-2,6,12,16-tet rone [ACD/IUPAC Name]
(3R,4S,5S,7R,8R,9Z,11S,14S,15R,17R)-3,8,14-Trihydroxy-17-[(S)-hydroxy{(2R,3R)-2-méthyl-3-[(2S,3Z)-3-pentén-2-yl]-2-oxiranyl}méthyl]-4-méthoxy-5,7,9,11,15-pentaméthyloxacyclooctadéc-9-ène-2,6,12,16-tét rone [French] [ACD/IUPAC Name]
92471-87-9 [RN]
Oxacyclooctadec-9-ene-2,6,12,16-tetrone, 3,8,14-trihydroxy-17-((S)-hydroxy((2R,3R)-2-methyl-3-((1S,2Z)-1-methyl-2-butenyl)oxiranyl)methyl)-4-methoxy-5,7,9,11,15-pentamethyl-, (3R,4S,5S,7R,8R,9E,11S,14S,15R,17R)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 780.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.5±6.0 kJ/mol
Flash Point: 241.7±26.4 °C
Index of Refraction: 1.539
Molar Refractivity: 157.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 5.14
ACD/KOC (pH 5.5): 112.29
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 5.14
ACD/KOC (pH 7.4): 112.28
Polar Surface Area: 180 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 502.1±5.0 cm3

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