Found 1 result

Search term: C[C@@]12[C@@](C(C=C3C2CC[C@@]4(C)[C@@]3(O)CC[C@]4([H])[C@](C)([C@H]5C[C@@H](CC)[C@@H](CO)[C@@H](OCCCC)O5)O)=O)([H])C[C@@H](O)[C@@H](O)C1 (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | (2beta,3beta,5beta,22R,25S,26S)-26-Butoxy-2,3,14,20,27-pentahydroxy-22,26-epoxystigmast-7-en-6-one | C33H54O8

(2β,3β,5β,22R,25S,26S)-26-Butoxy-2,3,14,20,27-pentahydroxy-22,26-epoxystigmast-7-en-6-one

  • Molecular FormulaC33H54O8
  • Average mass578.777 Da
  • Monoisotopic mass578.381897 Da
  • ChemSpider ID115267404

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2β,3β,5β,22R,25S,26S)-26-Butoxy-2,3,14,20,27-pentahydroxy-22,26-epoxystigmast-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,22R,25S,26S)-26-Butoxy-2,3,14,20,27-pentahydroxy-22,26-epoxystigmast-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,22R,25S,26S)-26-Butoxy-2,3,14,20,27-pentahydroxy-22,26-époxystigmast-7-én-6-one [French] [ACD/IUPAC Name]
Stigmast-7-en-6-one, 26-butoxy-22,26-epoxy-2,3,14,20,27-pentahydroxy-, (2β,3β,5β,22R,25S,26S)- [ACD/Index Name]
(22R,24R,25S,26S))-2β,3β,14α,20R-33-pentahydroxy-26α-butoxy-6-oxo-stigmast-7-ene-22,26-lactone
Cyathsterone B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 720.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.2±6.0 kJ/mol
Flash Point: 223.0±26.4 °C
Index of Refraction: 1.577
Molar Refractivity: 155.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.15
ACD/KOC (pH 5.5): 435.70
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.15
ACD/KOC (pH 7.4): 435.70
Polar Surface Area: 137 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 468.9±5.0 cm3

Click to predict properties on the Chemicalize site


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