ChemSpider 2D Image | Methyl [(1S,3R,4S,7R,8S,9S,11S,14S,17R,26S)-4,9,11,19,19-pentamethyl-5,10,21,24-tetraoxo-2,6,18,25-tetraoxaheptacyclo[12.10.1.1~1,8~.0~3,7~.0~11,26~.0~14,23~.0~16,20~]hexacosa-16(20),22-dien-17-yl]ace tate | C30H34O10

Methyl [(1S,3R,4S,7R,8S,9S,11S,14S,17R,26S)-4,9,11,19,19-pentamethyl-5,10,21,24-tetraoxo-2,6,18,25-tetraoxaheptacyclo[12.10.1.11,8.03,7.011,26.014,23.016,20]hexacosa-16(20),22-dien-17-yl]ace tate

  • Molecular FormulaC30H34O10
  • Average mass554.585 Da
  • Monoisotopic mass554.215210 Da
  • ChemSpider ID20568322

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

[(1S,3R,4S,7R,8S,9S,11S,14S,17R,26S)-4,9,11,19,19-Pentaméthyl-5,10,21,24-tétraoxo-2,6,18,25-tétraoxaheptacyclo[12.10.1.11,8.03,7.011,26.014,23.016,20]hexacosa-16(20),22-dién-17-yl]acétate de méthyle [French] [ACD/IUPAC Name]
2H,8H-7a,14a-Epoxy-3,10,15-trioxaazuleno[6',5':5,6]cyclooct[1,2,3-cd]-as-indacene-9-acetic acid, 1,3a,3b,4,5,5a,6,7,9,11,12,14,14b,15a-tetradecahydro-1,4,5a,11,11-pentamethyl-2,5,12,14-tetraoxo-, meth yl ester, (1S,3aR,3bS,4S,5aS,7aS,9R,14aS,14bS,15aR)- [ACD/Index Name]
2H,8H-7a,14a-epoxy-3,10,15-trioxaazuleno[6',5':5,6]cyclooct[1,2,3-cd]-as-indacene-9-acetic acid, 1,3a,3b,4,5,5a,6,7,9,11,12,14,14b,15a-tetradecahydro-1,4,5a,11,11-pentamethyl-2,5,12,14-tetraoxo-, methyl ester, (1S,3aR,3bS,4S,5aS,7aS,9R,14aS,14bS,15aR)-
methyl [(1S,3aR,3bS,4S,5aS,7aS,9R,14aS,14bS,15aR)-1,4,5a,11,11-pentamethyl-2,5,12,14-tetraoxo-1,3a,3b,4,5,5a,6,7,9,11,12,14,14b,15a-tetradecahydro-2H,8H-7a,14a-epoxy-3,10,15-trioxaazuleno[6',5':5,6]cycloocta[1,2,3-cd]-as-indacen-9-yl]acetate
Methyl [(1S,3R,4S,7R,8S,9S,11S,14S,17R,26S)-4,9,11,19,19-pentamethyl-5,10,21,24-tetraoxo-2,6,18,25-tetraoxaheptacyclo[12.10.1.11,8.03,7.011,26.014,23.016,20]hexacosa-16(20),22-dien-17-yl]ace ; tate [ACD/IUPAC Name]
Methyl-[(1S,3R,4S,7R,8S,9S,11S,14S,17R,26S)-4,9,11,19,19-pentamethyl-5,10,21,24-tetraoxo-2,6,18,25-tetraoxaheptacyclo[12.10.1.11,8.03,7.011,26.014,23.016,20]hexacosa-16(20),22-dien-17-yl]ace ; tat [German] [ACD/IUPAC Name]
rubriflorin B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 753.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 316.5±32.9 °C
Index of Refraction: 1.601
Molar Refractivity: 135.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 478.24
ACD/KOC (pH 5.5): 2881.99
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 478.24
ACD/KOC (pH 7.4): 2881.99
Polar Surface Area: 132 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 393.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement