Found 1 result

Search term: 68026464 (Found by CSID)
ChemSpider 2D Image | (3S,4aR,4bR,5aS,5bS,7aS,9aR,12aR,16bS,16cR,18aS,19aS)-5b-Hydroxy-3-isobutyl-1,1,10,10,12,12,16b,16c-octamethyl-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 | C42H57NO7

(3S,4aR,4bR,5aS,5bS,7aS,9aR,12aR,16bS,16cR,18aS,19aS)-5b-Hydroxy-3-isobutyl-1,1,10,10,12,12,16b,16c-octamethyl-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

  • Molecular FormulaC42H57NO7
  • Average mass687.904 Da
  • Monoisotopic mass687.413513 Da
  • ChemSpider ID68026464

  • 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-3-isobutyl-1,1,10,10,12,12,16b,16c-octamethyl-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-3-isobutyl-1,1,10,10,12,12,16b,16c-octamethyl-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-3-isobutyl-1,1,10,10,12,12,16b,16c-octaméthyl-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-methylpropyl)-, (3S,4aR,4bR,5aS,5bS,7aS,9aR,12aR,16bS,16cR,18aS,19aS)- [ACD/Index Name]
109862-63-7 [RN]
lolitrem C

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: 1.627
Molar Refractivity: 189.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 9.40
ACD/LogD (pH 5.5): 8.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 983258.44
ACD/LogD (pH 7.4): 8.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 983258.44
Polar Surface Area: 103 Å2
Polarizability: 75.1±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 534.6±5.0 cm3

Click to predict properties on the Chemicalize site


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