Found 1 result

Search term: 17262460 (Found by CSID)
ChemSpider 2D Image | shearinine F | C37H45NO5

shearinine F

  • Molecular FormulaC37H45NO5
  • Average mass583.757 Da
  • Monoisotopic mass583.329773 Da
  • ChemSpider ID17262460

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,4R,5S,23S,26S,30R)-26-Hydroxy-4,5,13,13,15,15,31,31-octamethyl-14,32,33-trioxa-7-azanonacyclo[28.2.1.01,27.04,26.05,23.06,21.08,20.010,18.011,16]tritriaconta-6(21),8(20),9,11(16),18, 27-hexaen-29-on [German] [ACD/IUPAC Name]
(1S,4R,5S,23S,26S,30R)-26-Hydroxy-4,5,13,13,15,15,31,31-octamethyl-14,32,33-trioxa-7-azanonacyclo[28.2.1.01,27.04,26.05,23.06,21.08,20.010,18.011,16]tritriaconta-6(21),8(20),9,11(16),18, 27-hexaen-29-one [ACD/IUPAC Name]
(1S,4R,5S,23S,26S,30R)-26-Hydroxy-4,5,13,13,15,15,31,31-octaméthyl-14,32,33-trioxa-7-azanonacyclo[28.2.1.01,27.04,26.05,23.06,21.08,20.010,18.011,16]tritriaconta-6(21),8(20),9,11(16),18, 27-hexaén-29-one [French] [ACD/IUPAC Name]
4H-3,18a-Epoxy-1-benzoxepino[6',7':6,7]indeno[1,2-b]pyrano[4',3':3,4]cyclopent[1,2-f]indol-4-one, 2,3,5b,6,7,7a,8,10,11,13,14,16,16b,16c,17,18-hexadecahydro-5b-hydroxy-2,2,11,11,13,13,16b,16c-octameth yl-, (3R,5bS,7aS,16bS,16cR,18aS)- [ACD/Index Name]
shearinine F

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: 1.663
Molar Refractivity: 164.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 7.60
ACD/LogD (pH 5.5): 7.39
ACD/BCF (pH 5.5): 243027.75
ACD/KOC (pH 5.5): 249244.73
ACD/LogD (pH 7.4): 7.39
ACD/BCF (pH 7.4): 243030.42
ACD/KOC (pH 7.4): 249247.47
Polar Surface Area: 81 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 443.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement