Found 1 result

Search term: YPHURJCNLMUQQJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5Z)-4-Methoxy-3-methyl-5-{(1R,4S,5R,6S,8S,9S)-4-methyl-9-[(2S,4S)-4-methyl-5-oxotetrahydro-2-furanyl]-2,14-dioxa-10-azatetracyclo[6.5.1.0~1,5~.0~6,10~]tetradec-3-ylidene}-2(5H)-furanone | C23H29NO7

(5Z)-4-Methoxy-3-methyl-5-{(1R,4S,5R,6S,8S,9S)-4-methyl-9-[(2S,4S)-4-methyl-5-oxotetrahydro-2-furanyl]-2,14-dioxa-10-azatetracyclo[6.5.1.01,5.06,10]tetradec-3-ylidene}-2(5H)-furanone

  • Molecular FormulaC23H29NO7
  • Average mass431.479 Da
  • Monoisotopic mass431.194397 Da
  • ChemSpider ID23339503

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5Z)-4-Methoxy-3-methyl-5-{(1R,4S,5R,6S,8S,9S)-4-methyl-9-[(2S,4S)-4-methyl-5-oxotetrahydro-2-furanyl]-2,14-dioxa-10-azatetracyclo[6.5.1.01,5.06,10]tetradec-3-yliden}-2(5H)-furanon [German] [ACD/IUPAC Name]
(5Z)-4-Methoxy-3-methyl-5-{(1R,4S,5R,6S,8S,9S)-4-methyl-9-[(2S,4S)-4-methyl-5-oxotetrahydro-2-furanyl]-2,14-dioxa-10-azatetracyclo[6.5.1.01,5.06,10]tetradec-3-ylidene}-2(5H)-furanone [ACD/IUPAC Name]
(5Z)-4-Méthoxy-3-méthyl-5-{(1R,4S,5R,6S,8S,9S)-4-méthyl-9-[(2S,4S)-4-méthyl-5-oxotétrahydro-2-furanyl]-2,14-dioxa-10-azatétracyclo[6.5.1.01,5.06,10]tétradéc-3-ylidène}-2(5H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, dihydro-3-methyl-5-[(1S,2Z,3aR,8S,9S,10aS,10bR)-octahydro-2-(3-methoxy-4-methyl-5-oxo-2(5H)-furanylidene)-1-methyl-4H-3a,9-epoxy-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-8-yl]-, (3S,5S)- [ACD/Index Name]
(5Z)-4-methoxy-3-methyl-5-{(1S,3aR,8S,9S,10aS,10bR)-1-methyl-8-[(2S,4S)-4-methyl-5-oxotetrahydrofuran-2-yl]octahydro-2H,4H-3a,9-epoxyfuro[3,2-c]pyrrolo[1,2-a]azepin-2-ylidene}furan-2(5H)-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL459913/
oxyprotostemonine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 627.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 333.2±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 107.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.00
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 6.84
ACD/KOC (pH 7.4): 97.79
Polar Surface Area: 84 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 314.5±5.0 cm3

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