ChemSpider 2D Image | Lolitrem B | C42H55NO7

Lolitrem B

  • Molecular FormulaC42H55NO7
  • Average mass685.889 Da
  • Monoisotopic mass685.397827 Da
  • ChemSpider ID10122109

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3S,4aR,4bR,5aS,5bS,7aS,9aR,12aR,16bS,16cR,18aS,19aS)-5b-Hydroxy-1,1,10,10,12,12,16b,16c-octamethyl-3-(2-methyl-1-propen-1-yl)-1,4a,4b,6,7,7a,9,9a,10,12,12a,16,16b,16c,17,18,18a,19a-octadecahydro-5bH- [2]benzofuro[5,6-e][1,3]dioxino[5'',4'':2',3']oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indol-13(8H)-on [German] [ACD/IUPAC Name]
(3S,4aR,4bR,5aS,5bS,7aS,9aR,12aR,16bS,16cR,18aS,19aS)-5b-Hydroxy-1,1,10,10,12,12,16b,16c-octamethyl-3-(2-methyl-1-propen-1-yl)-1,4a,4b,6,7,7a,9,9a,10,12,12a,16,16b,16c,17,18,18a,19a-octadecahydro-5bH- [2]benzofuro[5,6-e][1,3]dioxino[5'',4'':2',3']oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indol-13(8H)-one [ACD/IUPAC Name]
(3S,4aR,4bR,5aS,5bS,7aS,9aR,12aR,16bS,16cR,18aS,19aS)-5b-Hydroxy-1,1,10,10,12,12,16b,16c-octaméthyl-3-(2-méthyl-1-propén-1-yl)-1,4a,4b,6,7,7a,9,9a,10,12,12a,16,16b,16c,17,18,18a,19a-octadécahydro-5bH- [2]benzofuro[5,6-e][1,3]dioxino[5'',4'':2',3']oxiréno[4',4a']chroméno[5',6':6,7]indéno[1,2-b]indol-13(8H)-one [French] [ACD/IUPAC Name]
7H-[1,3]Dioxino[5'',4'':2',3']oxireno[4',4a'][1]benzopyrano[5',6':6,7]indeno[1,2-b]isobenzofuro[5,6-e]indol-13(8H)-one, 1,4a,4b,5b,6,7a,9,9a,10,12,12a,16,16b,16c,17,18,18a,19a-octadecahydro-5b-hydroxy -1,1,10,10,12,12,16b,16c-octamethyl-3-(2-methyl-1-propen-1-yl)-, (3S,4aR,4bR,5aS,5bS,7aS,9aR,12aR,16bS,16cR,18aS,19aS)- [ACD/Index Name]
81771-19-9 [RN]
Lolitrem B
(1S,9R,13R,19S,22S,23S,25R,26R,28S,31S,33S,36R)-22-hydroxy-1,10,10,12,12,30,30,36-octamethyl-28-(2-methylprop-1-enyl)-11,24,27,29,32-pentaoxa-3-azadecacyclo[17.17.0.02,17.04,16.07,15.09,13.022,36.023,25.023,33.026,31]hexatriaconta-2(17),4(16),5,7(15)-tetraen-8-one
MFCD06200756

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.637
    Molar Refractivity: 189.2±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 2
    ACD/LogP: 9.51
    ACD/LogD (pH 5.5): 8.57
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 1101678.00
    ACD/LogD (pH 7.4): 8.57
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 1101678.00
    Polar Surface Area: 103 Å2
    Polarizability: 75.0±0.5 10-24cm3
    Surface Tension: 58.3±5.0 dyne/cm
    Molar Volume: 527.2±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement